data_2ke1_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ke1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.736 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.664 -0.495 . . . . 1.99 109.664 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.0 136.57 48.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.749 -0.659 . . . . 1.11 110.531 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -87.16 0.93 54.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.215 -0.661 . . . . 0.49 109.215 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -125.44 138.08 54.0 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.543 -0.91 . . . . 2.53 108.543 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 33.5 t -66.05 138.7 57.95 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.261 -0.427 . . . . 0.21 111.293 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.502 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -66.36 -15.39 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 1.11 111.519 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 322' ' ' CYS . 87.5 t -81.54 -61.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.353 -0.385 . . . . 1.06 111.566 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.84 6.98 10.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.447 0.536 . . . . 0.41 112.447 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.505 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 24.8 mmm180 54.26 34.66 20.93 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.271 0.628 . . . . 2.95 111.584 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.572 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 19.0 t0 -102.74 166.16 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.125 -0.695 . . . . 1.54 109.125 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -109.17 -166.4 20.45 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.443 -0.884 . . . . 0.7 111.068 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 105.19 -125.74 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.57 112.696 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.18 88.47 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.322 0.582 . . . . 1.91 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.607 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 66.6 mt -104.11 147.74 27.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.361 -0.836 . . . . 1.08 111.564 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.6 tt -130.31 111.23 20.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.59 -0.893 . . . . 1.05 108.59 173.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.72 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -100.43 147.23 26.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 2.08 111.372 -171.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.659 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.4 t -74.94 151.6 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.847 -1.069 . . . . 0.2 111.5 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.704 ' HA ' HH21 ' B' ' 2' ' ' ARG . 22.3 t70 -60.76 -68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.144 -0.48 . . . . 0.66 111.065 175.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -79.79 -12.57 83.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.986 -0.626 . . . . 0.47 113.972 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 100.0 m -122.33 131.03 24.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 117.22 0.51 . . . . 1.34 110.754 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.83 -13.07 37.3 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.468 2.778 . . . . 0.88 113.857 -174.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -60.02 134.25 56.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.124 0.488 . . . . 1.74 111.598 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.92 147.43 39.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.264 -0.88 . . . . 1.05 108.641 171.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 300' ' ' ALA . 44.5 m-85 -129.69 164.64 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 121.054 -0.258 . . . . 0.26 111.008 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.572 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 37.9 m80 -89.34 146.12 24.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.413 -0.588 . . . . 0.21 109.413 170.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 78.6 mt -52.33 -55.71 19.72 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.462 0.476 . . . . 1.1 111.484 -174.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.45 -26.03 59.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 1.05 112.346 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.581 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.4 m -72.06 -24.07 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.693 0.283 . . . . 0.21 111.293 -177.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.33 159.18 27.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.284 0.564 . . . . 1.04 112.181 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 40.6 t -139.74 108.2 7.09 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.338 -0.846 . . . . 1.36 109.415 173.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 13.5 Cg_exo -70.97 144.62 79.8 Favored 'Cis proline' 0 C--N 1.344 0.304 0 C-N-CA 123.747 -1.356 . . . . 0.92 112.599 0.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 8.0 Cg_exo -70.1 133.72 25.58 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.996 2.464 . . . . 0.74 112.551 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.0 mm? -79.66 131.4 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 1.76 109.342 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -100.5 -19.39 16.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.9 0.857 . . . . 3.65 108.904 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.71 151.2 36.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.383 -1.281 . . . . 1.57 109.55 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 331' ' ' PRO . 39.8 mm -74.56 129.16 84.39 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.239 -0.437 . . . . 1.08 111.65 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 330' ' ' ILE . 1.3 Cg_endo -82.26 136.51 8.95 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.756 2.971 . . . . 0.5 112.802 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.3 t -92.65 113.56 25.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.067 -0.515 . . . . 2.09 109.651 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.05 -167.29 25.73 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.699 -0.762 . . . . 0.68 111.64 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.5 p -84.9 102.66 13.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.049 0.452 . . . . 1.23 109.917 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.467 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.0 t90 -85.65 143.05 28.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.729 -0.668 . . . . 0.33 110.229 -176.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.659 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.9 mtt180 -125.87 138.0 53.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 2.37 110.637 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.3 p -68.04 171.84 6.36 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.379 -0.373 . . . . 0.63 110.626 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 15.4 m -57.64 -42.24 83.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.519 0.199 . . . . 1.9 111.453 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.1 t -58.01 -42.67 85.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 1.87 110.756 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 87.8 m -64.5 -42.39 95.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.57 111.365 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 121.107 0.479 . . . . 1.43 110.682 -178.679 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.898 -0.408 . . . . 1.07 109.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.72 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 40.9 ttm-85 -80.23 67.03 5.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.261 -0.644 . . . . 0.85 109.261 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -75.72 142.31 42.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.577 -0.738 . . . . 1.41 111.363 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.736 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.0 mtpp . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 1.4 109.328 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.695 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 3.7 p30 . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 109.763 -0.458 . . . . 1.99 109.763 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 148.87 51.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.968 0.413 . . . . 1.11 110.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -92.24 1.9 56.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.751 -0.833 . . . . 0.49 108.751 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 134.21 52.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.294 -0.866 . . . . 2.53 108.764 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 38.4 t -66.42 138.4 57.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.173 -0.467 . . . . 0.21 110.633 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.506 ' HA ' HH11 ' A' ' 303' ' ' ARG . . . -65.24 -16.47 63.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 1.11 111.348 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 322' ' ' CYS . 86.7 t -82.23 -63.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.962 -0.563 . . . . 1.06 111.527 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.69 3.97 13.99 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.128 0.418 . . . . 0.41 112.128 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.506 HH11 ' HA ' ' A' ' 300' ' ' ALA . 29.5 mmm180 56.7 32.69 21.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.372 0.669 . . . . 2.95 111.8 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.407 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.7 t70 -105.81 -179.88 4.07 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.216 -0.661 . . . . 1.54 109.216 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -124.63 -179.25 15.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.657 . . . . 0.7 112.02 -175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.68 -126.28 6.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.624 -0.798 . . . . 0.57 112.186 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -75.96 88.24 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.864 0.364 . . . . 1.91 110.263 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.576 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 91.6 mt -102.16 145.76 28.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.475 0.655 . . . . 1.08 112.128 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.6 tt -128.49 115.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.019 -0.992 . . . . 1.05 109.469 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.814 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -102.03 147.11 26.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.271 0.558 . . . . 2.08 111.07 -173.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 53.2 t -75.24 154.83 37.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.066 -0.97 . . . . 0.2 111.3 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.445 ' HA ' HH21 ' B' ' 2' ' ' ARG . 21.2 t70 -60.58 -69.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.746 0.276 . . . . 0.66 111.746 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -84.89 1.92 88.56 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.907 -0.663 . . . . 0.47 113.722 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 71.5 m -131.94 127.83 21.3 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.469 . . . . 1.34 110.742 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.83 -10.82 28.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.17 2.58 . . . . 0.88 113.482 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 316' ' ' ARG . 63.5 mtt85 -60.48 130.25 45.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.82 0.343 . . . . 1.74 111.073 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.576 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.7 154.38 23.94 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.811 -0.811 . . . . 1.05 108.811 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.538 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.8 m-85 -133.48 166.15 23.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.775 0.322 . . . . 0.26 111.166 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -96.53 146.43 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.804 -0.813 . . . . 0.21 108.804 169.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.467 HD22 HD12 ' A' ' 330' ' ' ILE . 78.1 mt -56.91 -51.38 69.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.757 0.28 . . . . 1.1 111.757 -173.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.84 -19.8 60.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.379 . . . . 1.05 111.817 -176.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.579 ' HB3' HG12 ' A' ' 301' ' ' VAL . 72.9 m -79.19 -19.36 51.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 0.21 111.001 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.72 156.27 39.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.09 0.471 . . . . 1.04 111.038 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 31.9 t -139.64 108.79 7.21 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 1.36 109.414 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 9.1 Cg_exo -73.91 144.27 80.47 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.961 -1.266 . . . . 0.92 112.702 0.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 8.2 Cg_exo -70.04 133.34 24.82 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.368 2.712 . . . . 0.74 112.519 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.95 129.76 34.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.668 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . 0.862 ' HG2' ' HG3' ' A' ' 329' ' ' GLU . 0.0 OUTLIER -82.21 -25.99 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 3.65 110.828 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . 0.862 ' HG3' ' HG2' ' A' ' 328' ' ' ARG . 0.0 OUTLIER -144.71 157.58 44.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 1.57 110.374 177.096 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.467 HD12 HD22 ' A' ' 320' ' ' LEU . 23.5 mm -75.4 122.04 86.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.563 -0.744 . . . . 1.08 112.411 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -60.2 138.47 81.63 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.06 2.506 . . . . 0.5 112.314 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.5 m -94.07 53.86 1.83 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.41 0.624 . . . . 2.09 110.816 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.25 -168.17 35.41 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.536 -0.756 . . . . 0.68 111.497 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.0 p -66.07 113.17 4.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.929 0.395 . . . . 1.23 110.552 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.411 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 82.9 t90 -90.62 148.12 22.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.33 109.689 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.617 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 54.9 mtt180 -130.26 129.53 43.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.479 -0.328 . . . . 2.37 110.662 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.9 p -72.97 172.61 10.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.222 -0.445 . . . . 0.63 110.692 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.9 m -51.82 -42.71 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.36 . . . . 1.9 111.043 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.7 m -55.17 -43.42 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.674 -0.694 . . . . 1.87 111.301 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.9 m -65.96 -42.56 89.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.57 111.104 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 1.43 110.852 -175.48 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.96 -0.385 . . . . 1.07 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.814 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.9 ttm-85 -82.12 72.32 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.136 0.493 . . . . 0.85 109.89 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -77.58 150.53 34.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.656 0.613 . . . . 1.41 112.656 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.622 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 51.1 mtpt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 1.4 109.428 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.742 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.5 p30 . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 120.854 0.359 . . . . 1.99 110.278 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.53 139.12 47.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.848 -0.615 . . . . 1.11 109.831 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . 0.656 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 20.4 m-20 -89.84 11.92 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.337 -0.392 . . . . 0.49 111.649 -171.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.13 135.13 30.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.572 0.701 . . . . 2.53 110.166 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 43.2 t -59.84 137.43 58.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.759 -1.109 . . . . 0.21 111.995 -174.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.553 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -67.33 -11.61 58.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.893 -0.594 . . . . 1.11 111.233 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -82.07 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.026 -0.534 . . . . 1.06 111.282 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.93 4.28 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.043 0.386 . . . . 0.41 112.043 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 27.8 mmt180 57.98 31.04 20.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 2.95 111.886 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.496 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.6 t70 -99.72 174.03 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.303 -0.999 . . . . 1.54 108.303 175.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.83 -179.74 15.86 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.394 -0.908 . . . . 0.7 111.98 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.85 -132.7 8.51 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.667 -0.778 . . . . 0.57 112.13 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.99 78.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.239 0.542 . . . . 1.91 110.251 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.668 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 20.8 mt -89.83 150.21 22.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.321 -0.854 . . . . 1.08 111.342 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.1 tt -126.52 117.25 47.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.648 -0.871 . . . . 1.05 108.648 172.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.8 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 52.3 t -104.07 146.93 28.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.274 0.559 . . . . 2.08 110.847 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.767 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.8 t -74.68 151.4 39.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.122 -0.944 . . . . 0.2 111.051 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.407 ' HA ' HH21 ' B' ' 2' ' ' ARG . 30.0 t70 -60.76 -67.0 0.44 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.974 -0.557 . . . . 0.66 111.047 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.79 -10.03 84.96 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 114.857 0.703 . . . . 0.47 114.857 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.6 p -136.58 133.68 19.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.882 0.841 . . . . 1.34 110.565 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 25.9 Cg_exo -62.49 -5.78 7.56 Favored 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 123.703 2.935 . . . . 0.88 114.208 -174.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -64.74 132.87 50.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.066 0.46 . . . . 1.74 111.565 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -112.28 153.41 27.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 1.05 108.974 173.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.613 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.5 m-85 -135.1 166.77 22.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.65 0.262 . . . . 0.26 110.532 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.5 m80 -96.08 147.9 23.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.258 -0.645 . . . . 0.21 109.258 171.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 85.5 mt -55.44 -51.99 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.218 0.324 . . . . 1.1 111.402 -173.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.26 53.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.174 0.435 . . . . 1.05 112.174 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.655 ' HB3' HG12 ' A' ' 301' ' ' VAL . 72.9 m -75.05 -25.4 58.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.21 111.335 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.0 157.71 36.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.317 0.58 . . . . 1.04 111.815 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.2 t -139.45 111.83 7.75 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 108.608 -0.886 . . . . 1.36 108.608 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.3 Cg_endo -73.87 141.55 72.09 Favored 'Cis proline' 0 C--O 1.233 0.272 0 C-N-CA 123.365 -1.514 . . . . 0.92 112.213 2.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 2.9 Cg_exo -72.01 138.09 30.4 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.891 2.394 . . . . 0.74 111.91 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -90.08 127.36 36.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.174 -0.466 . . . . 1.76 110.358 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -84.56 -23.19 29.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 3.65 110.122 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -141.25 157.25 45.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.064 -0.971 . . . . 1.57 109.665 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 330' ' ' ILE . 28.8 mm -78.68 121.77 83.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.394 . . . . 1.08 111.378 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.528 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.9 Cg_endo -64.68 138.77 60.31 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.968 2.445 . . . . 0.5 112.618 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 46.2 m -96.32 52.07 1.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.974 -0.557 . . . . 2.09 110.647 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.22 -165.84 30.73 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.559 -0.829 . . . . 0.68 112.381 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -67.83 108.7 3.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 1.23 111.081 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.521 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.1 t90 -95.96 146.0 24.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.768 -0.651 . . . . 0.33 110.177 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.767 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.1 mtt180 -132.54 137.38 47.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 2.37 110.735 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.83 172.61 9.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.778 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.0 m -54.46 -45.38 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.633 0.254 . . . . 1.9 111.113 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.8 m -55.86 -43.0 76.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 1.87 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 97.6 m -65.73 -42.5 90.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.57 111.384 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 1.43 110.618 -178.075 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.528 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.808 -0.441 . . . . 1.07 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.8 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 48.3 ttm-85 -83.35 64.96 8.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.388 0.613 . . . . 0.85 109.641 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.25 151.4 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.408 -0.815 . . . . 1.41 111.504 -174.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.742 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.7 mtpp . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 1.4 110.184 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.717 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.76 -0.459 . . . . 1.99 109.76 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -69.41 144.46 53.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.176 -0.466 . . . . 1.11 110.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -91.17 0.67 57.48 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.923 0.392 . . . . 0.49 110.75 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.85 139.53 41.75 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.7 -0.682 . . . . 2.53 110.094 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.639 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 35.3 t -63.14 137.8 58.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.864 -1.062 . . . . 0.21 111.168 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.502 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -65.35 -19.59 66.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 1.11 111.324 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -75.0 -63.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.474 . . . . 1.06 111.251 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 19.1 p -116.78 3.72 12.97 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.384 0.513 . . . . 0.41 112.384 -171.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.471 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 32.7 mmt180 55.96 36.62 27.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.87 -0.605 . . . . 2.95 112.005 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.446 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.5 t0 -112.77 170.9 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.69 -0.856 . . . . 1.54 108.69 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.38 -166.77 17.4 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.85 -0.69 . . . . 0.7 111.698 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.58 -122.13 6.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.42 -0.895 . . . . 0.57 112.719 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -74.45 86.91 2.05 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.845 0.38 . . . . 1.91 110.457 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -101.03 141.08 34.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.53 0.681 . . . . 1.08 112.584 -174.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . 0.633 HG13 ' HB3' ' B' ' 1' ' ' ALA . 2.9 tt -127.85 112.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.779 -1.1 . . . . 1.05 108.748 171.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.704 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 2.5 m -100.78 148.2 25.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 2.08 110.886 -174.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 314' ' ' CYS . 53.4 t -72.09 148.19 46.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.221 -0.899 . . . . 0.2 110.131 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.447 ' HA ' HH21 ' B' ' 2' ' ' ARG . 18.0 t70 -62.01 -67.49 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.798 -0.361 . . . . 0.66 110.678 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -68.3 -20.05 72.96 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.101 -0.5 . . . . 0.47 113.918 -173.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 311' ' ' CYS . 73.8 m -126.79 131.6 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 117.3 0.55 . . . . 1.34 110.516 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 -8.11 19.73 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.098 2.532 . . . . 0.88 113.797 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 300' ' ' ALA . 77.1 mtt180 -61.02 130.46 46.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.25 0.548 . . . . 1.74 111.33 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.662 ' HB1' ' SG ' ' A' ' 310' ' ' CYS . . . -110.89 153.76 25.0 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.257 -0.883 . . . . 1.05 108.95 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.639 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 45.6 m-85 -137.4 171.33 14.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.8 0.333 . . . . 0.26 111.233 -176.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.8 m80 -100.33 150.62 22.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.003 -0.74 . . . . 0.21 109.003 170.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.552 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.9 mt -57.27 -55.8 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.67 0.271 . . . . 1.1 111.145 -175.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.14 -25.11 61.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.542 . . . . 1.05 112.294 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.613 ' HB3' HG11 ' A' ' 301' ' ' VAL . 93.7 m -73.6 -24.12 60.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.445 -0.343 . . . . 0.21 111.423 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 327' ' ' LEU . 38.7 mt -67.69 158.38 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.227 0.537 . . . . 1.04 111.719 176.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 4.4 p -137.32 109.75 8.91 Favored Pre-proline 0 N--CA 1.435 -1.206 0 CA-C-N 115.506 -0.77 . . . . 1.36 110.506 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 15.4 Cg_exo -70.09 146.81 83.9 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.137 -1.193 . . . . 0.92 112.225 -2.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.477 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 7.5 Cg_exo -69.53 145.92 59.99 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.956 2.437 . . . . 0.74 112.214 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.4 mm? -92.35 136.07 33.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.007 -0.542 . . . . 1.76 109.897 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 328' ' ' ARG . 1.3 ptm180 -99.94 -18.16 17.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.348 0.594 . . . . 3.65 110.422 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.01 149.0 33.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.254 -0.884 . . . . 1.57 109.912 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.9 122.06 84.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 1.08 111.24 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.97 139.44 41.52 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.791 2.994 . . . . 0.5 112.972 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 m -90.18 29.94 1.17 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.563 -0.744 . . . . 2.09 111.23 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.2 -158.77 18.39 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.921 -0.657 . . . . 0.68 112.071 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.1 p -68.26 113.46 5.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 1.23 110.977 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.408 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.7 t90 -90.07 144.57 25.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.33 110.24 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.441 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 58.4 mtt85 -116.94 133.56 55.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 2.37 111.108 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.23 179.53 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.63 110.188 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 14.7 m -53.26 -45.77 68.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.953 0.353 . . . . 1.9 111.953 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 32.3 t -56.74 -47.09 80.81 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.863 0.363 . . . . 1.87 111.157 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.441 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.7 m -66.26 -41.55 89.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.441 -0.345 . . . . 0.57 110.843 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 1.43 110.868 178.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.633 ' HB3' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.237 -0.282 . . . . 1.07 110.237 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 45.9 ttm-85 -80.81 75.04 7.75 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.392 -0.595 . . . . 0.85 109.392 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -71.9 149.68 44.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.942 0.401 . . . . 1.41 111.791 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.818 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 51.1 mtpt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.91 -0.586 . . . . 1.4 110.429 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.717 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.2 p30 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 120.804 0.335 . . . . 1.99 110.114 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 41.3 mt-10 -71.79 136.65 47.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 1.11 109.959 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . 0.496 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 1.9 m-20 -87.9 11.98 14.34 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.92 -0.77 . . . . 0.49 108.92 174.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -131.92 131.47 42.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.183 -0.917 . . . . 2.53 108.622 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.543 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 40.7 t -63.73 137.54 58.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.393 -0.367 . . . . 0.21 110.942 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.596 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -68.82 -19.34 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 1.11 111.01 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.655 HG13 ' HB3' ' A' ' 322' ' ' CYS . 70.1 t -76.43 -62.29 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 1.06 111.671 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -126.35 10.4 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.353 0.501 . . . . 0.41 112.353 -174.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 299' ' ' CYS . 33.9 mmt180 56.98 34.22 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 2.95 112.374 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 -175.68 3.16 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.138 -0.69 . . . . 1.54 109.138 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -132.29 -175.53 14.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.532 -0.842 . . . . 0.7 111.843 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 119.02 -127.11 7.08 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.56 -0.828 . . . . 0.57 112.435 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.67 84.49 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.148 0.499 . . . . 1.91 110.379 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 77.3 mt -95.19 144.99 25.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.571 -0.74 . . . . 1.08 112.3 -174.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . 0.561 HG13 ' HB3' ' B' ' 1' ' ' ALA . 5.9 tt -124.23 105.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.06 -0.973 . . . . 1.05 109.171 173.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.694 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.5 m -92.72 147.85 22.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 2.08 110.726 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.773 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 34.6 t -74.56 152.51 39.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.6 -0.727 . . . . 0.2 110.783 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.582 ' HA ' HH21 ' B' ' 2' ' ' ARG . 28.1 t70 -60.79 -68.12 0.34 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.66 110.975 175.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -74.01 -10.39 80.88 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.664 0.626 . . . . 0.47 114.664 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.566 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.7 p -136.41 134.1 19.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 117.757 0.778 . . . . 1.34 110.148 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.9 -9.24 13.66 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 123.53 2.82 . . . . 0.88 114.108 -172.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.402 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 58.8 mtt180 -60.14 131.18 50.03 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.978 0.418 . . . . 1.74 111.624 -177.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.688 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.16 151.11 28.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 1.05 109.009 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 300' ' ' ALA . 49.5 m-85 -135.59 169.52 17.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.808 0.337 . . . . 0.26 110.922 -176.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 54.0 m80 -100.38 145.83 27.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.77 -0.826 . . . . 0.21 108.77 169.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 327' ' ' LEU . 81.3 mt -55.78 -51.91 65.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 1.1 111.473 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.24 -15.17 60.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 1.05 111.765 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.655 ' HB3' HG13 ' A' ' 301' ' ' VAL . 74.6 m -82.84 -20.0 36.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.21 110.801 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 61.4 mt -75.71 154.66 36.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 1.04 111.386 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.0 t -139.99 110.08 7.14 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.782 -0.645 . . . . 1.36 109.512 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 10.6 Cg_exo -71.93 146.86 87.02 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 123.601 -1.416 . . . . 0.92 112.441 0.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.1 Cg_exo -74.98 139.01 23.84 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.81 2.34 . . . . 0.74 112.463 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.417 ' HB2' HD22 ' A' ' 320' ' ' LEU . 4.0 mm? -86.76 127.55 34.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 1.76 109.798 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -78.1 -26.63 48.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 3.65 110.585 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.05 161.48 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 1.57 110.316 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.402 HG21 ' HB1' ' B' ' 1' ' ' ALA . 34.2 mm -76.69 119.15 76.18 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 1.08 111.363 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.54 135.49 39.32 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.682 2.254 . . . . 0.5 112.102 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.7 t -94.03 57.52 2.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.487 0.66 . . . . 2.09 110.489 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -171.62 -170.47 35.68 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.934 -0.866 . . . . 0.68 110.934 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -65.42 114.37 4.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.147 0.499 . . . . 1.23 110.597 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.554 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 86.5 t90 -101.01 146.46 27.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.967 -0.56 . . . . 0.33 110.274 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.773 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 59.2 mtt180 -127.74 139.59 52.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 2.37 110.849 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -72.86 174.33 7.9 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.106 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 38.4 t -56.14 -44.95 79.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.775 0.321 . . . . 1.9 110.676 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.7 m -55.22 -45.98 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.87 111.138 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 81.4 m -66.71 -43.11 85.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.57 111.847 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 121.442 0.639 . . . . 1.43 110.759 -178.425 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.561 ' HB3' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.698 -0.482 . . . . 1.07 109.698 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -77.28 84.96 3.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.019 -0.537 . . . . 0.85 110.524 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -87.14 139.26 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.732 0.641 . . . . 1.41 112.732 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 27.2 mtpp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.269 -0.878 . . . . 1.4 109.327 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.843 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.3 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 120.629 0.252 . . . . 1.99 110.4 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.43 134.15 47.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.829 -0.434 . . . . 1.11 109.829 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . 0.698 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 5.9 m-20 -86.85 9.9 17.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.463 -0.569 . . . . 0.49 109.463 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -127.68 135.26 49.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.409 -0.96 . . . . 2.53 108.409 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.594 ' O ' ' HD2' ' A' ' 303' ' ' ARG . 42.8 t -66.98 138.12 57.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.89 0.376 . . . . 0.21 110.839 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 318' ' ' PHE . . . -68.73 -15.8 63.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.331 . . . . 1.11 111.386 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.619 HG12 ' HB3' ' A' ' 322' ' ' CYS . 74.0 t -79.02 -62.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.475 . . . . 1.06 111.414 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -119.03 5.18 11.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.982 0.42 . . . . 0.41 112.018 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.594 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 28.2 mmm180 54.92 35.93 25.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.542 -0.754 . . . . 2.95 111.38 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.45 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.4 t70 -102.43 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.631 -0.878 . . . . 1.54 108.631 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.54 -175.91 15.13 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.552 -0.833 . . . . 0.7 111.876 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 121.84 -128.6 7.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.731 -0.747 . . . . 0.57 112.2 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.87 92.1 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.098 0.475 . . . . 1.91 110.266 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.848 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.3 mt -104.0 146.7 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 1.08 111.806 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 4.4 tt -125.78 114.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.275 -0.875 . . . . 1.05 109.187 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 40.8 t -100.46 142.57 31.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.395 0.617 . . . . 2.08 111.682 -172.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.2 t -74.44 141.29 45.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.93 -1.032 . . . . 0.2 110.085 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.11 -64.56 0.91 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.992 0.425 . . . . 0.66 110.911 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -63.39 -21.3 64.3 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.974 -0.557 . . . . 0.47 114.307 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 81.8 m -135.87 131.98 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 117.632 0.716 . . . . 1.34 110.899 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 27.2 Cg_exo -60.52 -14.69 31.99 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.628 2.885 . . . . 0.88 114.2 -172.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -58.14 132.95 55.06 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.001 0.429 . . . . 1.74 111.43 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -113.06 152.33 29.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 1.05 109.15 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.586 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 38.9 m-85 -132.54 162.22 31.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.615 0.245 . . . . 0.26 110.753 -175.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.566 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.6 m80 -93.49 146.13 24.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 0.21 109.077 170.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.563 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 92.1 mt -56.67 -54.38 46.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.747 0.308 . . . . 1.1 111.211 -173.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.11 -17.31 60.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.529 . . . . 1.05 112.122 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.619 ' HB3' HG12 ' A' ' 301' ' ' VAL . 80.4 m -79.53 -21.15 45.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.886 0.374 . . . . 0.21 111.026 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.84 154.71 38.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 1.04 111.715 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.9 t -139.88 107.45 6.94 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.171 -0.922 . . . . 1.36 108.762 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 87.4 Cg_endo -76.61 143.58 76.46 Favored 'Cis proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.508 -1.455 . . . . 0.92 112.735 5.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.4 Cg_exo -75.18 144.04 29.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.841 2.361 . . . . 0.74 112.178 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -95.82 132.66 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 1.76 109.958 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.164 0.507 . . . . 3.65 109.933 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.58 160.23 39.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.576 -0.738 . . . . 1.57 109.893 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 330' ' ' ILE . 29.5 mm -80.49 121.87 81.88 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.992 -0.549 . . . . 1.08 111.768 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 9.6 Cg_endo -57.79 139.38 90.13 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.463 2.775 . . . . 0.5 112.767 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 p -89.43 38.43 0.9 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.511 -0.768 . . . . 2.09 111.395 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -166.4 -170.92 31.93 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.489 -0.644 . . . . 0.68 111.489 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 36.9 p -66.15 112.0 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.819 0.343 . . . . 1.23 110.368 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.461 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 82.9 t90 -84.92 145.74 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.33 110.102 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.516 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 93.8 mtt180 -119.7 132.3 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 2.37 110.647 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.15 177.27 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.029 -0.532 . . . . 0.63 110.304 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.9 m -53.2 -43.94 67.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.682 -0.235 . . . . 1.9 111.279 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 42.4 t -55.97 -51.44 67.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 1.87 111.011 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.4 m -60.85 -42.44 97.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.57 111.098 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 1.43 110.611 -178.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.226 -0.287 . . . . 1.07 110.226 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 2' ' ' ARG . 16.1 ttp180 -82.12 80.47 8.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.462 0.649 . . . . 0.85 110.098 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.24 151.24 39.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.68 -0.691 . . . . 1.41 112.036 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.848 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 1.4 110.224 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.722 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 1.99 111.229 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.7 139.72 53.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 1.11 110.157 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -89.73 13.01 15.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.07 -0.715 . . . . 0.49 109.07 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.81 138.46 52.08 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.53 108.491 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.519 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 42.9 t -71.64 138.2 48.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.002 0.43 . . . . 0.21 111.188 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 318' ' ' PHE . . . -69.64 -13.08 62.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 1.11 111.38 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 322' ' ' CYS . 78.1 t -83.54 -59.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.957 -0.565 . . . . 1.06 111.448 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.91 8.5 8.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.386 0.513 . . . . 0.41 112.386 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 26.0 mmm180 57.0 30.64 18.5 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.026 -0.534 . . . . 2.95 111.668 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.483 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.9 t70 -101.65 174.39 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.212 -0.662 . . . . 1.54 109.212 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.65 -174.36 14.72 Favored Glycine 0 C--N 1.318 -0.419 0 C-N-CA 120.897 -0.668 . . . . 0.7 111.906 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 116.48 -119.78 4.63 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.314 -0.946 . . . . 0.57 112.364 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.95 87.22 6.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 1.91 110.376 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.631 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 83.8 mt -102.3 149.79 23.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.678 -0.692 . . . . 1.08 111.803 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.0 tt -132.48 118.15 34.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.257 -0.883 . . . . 1.05 109.266 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.856 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 48.9 t -103.09 147.48 26.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.465 0.65 . . . . 2.08 111.251 -174.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 50.5 t -74.79 153.14 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.97 -1.013 . . . . 0.2 111.326 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.516 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 21.5 t0 -60.46 -67.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.998 0.428 . . . . 0.66 110.862 174.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -80.87 -1.28 89.53 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.162 -0.542 . . . . 0.47 114.258 -173.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 76.6 m -135.54 132.84 19.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.739 0.769 . . . . 1.34 111.263 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 16.0 Cg_exo -66.54 -12.53 36.19 Favored 'Trans proline' 0 N--CA 1.472 0.248 0 C-N-CA 123.856 3.037 . . . . 0.88 113.583 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.32 133.63 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 1.74 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -113.57 153.27 29.08 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.686 -0.857 . . . . 1.05 108.686 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.461 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 39.3 m-85 -134.15 168.0 19.65 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.632 0.254 . . . . 0.26 110.42 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.509 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 52.0 m80 -95.75 145.71 25.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 0.21 108.752 169.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.507 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.5 mt -57.01 -51.56 68.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.66 0.267 . . . . 1.1 111.066 -172.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.33 62.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 1.05 112.132 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.0 m -72.17 -20.69 61.56 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.779 0.323 . . . . 0.21 110.926 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.49 155.7 40.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.262 0.553 . . . . 1.04 111.207 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 24.7 t -141.38 113.76 6.74 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.21 -0.905 . . . . 1.36 108.967 172.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.51 133.34 29.36 Favored 'Cis proline' 0 C--O 1.233 0.255 0 C-N-CA 123.644 -1.399 . . . . 0.92 112.598 0.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 324' ' ' SER . 17.8 Cg_endo -64.23 142.39 79.66 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.068 2.512 . . . . 0.74 112.901 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -92.92 134.99 34.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.397 -0.82 . . . . 1.76 109.688 177.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -89.61 -25.72 21.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.163 0.506 . . . . 3.65 110.094 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -144.59 158.15 43.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.59 -0.732 . . . . 1.57 110.343 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.406 HD13 HD23 ' A' ' 320' ' ' LEU . 41.2 mm -75.4 122.46 87.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 1.08 111.439 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -56.84 138.1 84.27 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.255 2.637 . . . . 0.5 112.62 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 p -91.96 40.73 1.05 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.689 0.756 . . . . 2.09 110.407 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -172.23 -172.7 38.31 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.254 -0.885 . . . . 0.68 111.02 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 p -64.53 114.67 4.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.303 0.573 . . . . 1.23 111.375 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.451 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.6 t90 -89.4 143.85 26.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.33 109.795 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.539 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.8 mtt180 -122.33 136.9 54.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 2.37 110.858 -178.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.02 174.46 11.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.462 -0.57 . . . . 0.63 109.462 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 49.2 m -53.75 -43.8 69.46 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.137 0.421 . . . . 1.9 112.137 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 35.8 t -60.17 -44.04 95.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.281 . . . . 1.87 111.14 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 86.0 m -60.71 -40.95 94.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.57 111.103 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 1.43 110.376 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.663 -0.495 . . . . 1.07 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.856 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 35.8 ttm-85 -83.34 70.19 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.381 0.61 . . . . 0.85 109.864 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.67 142.55 49.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.579 -0.737 . . . . 1.41 111.427 -175.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.633 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.7 mtpp . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 1.4 110.235 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.779 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 120.972 0.415 . . . . 1.99 110.598 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . 0.494 ' HG3' ' HB2' ' A' ' 315' ' ' PRO . 43.9 mt-10 -83.44 151.05 25.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.486 -0.779 . . . . 1.11 109.658 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -101.79 19.59 17.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.929 0.395 . . . . 0.49 111.281 -171.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.37 135.94 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.533 0.682 . . . . 2.53 110.169 173.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 41.2 t -64.45 137.54 57.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.867 -1.061 . . . . 0.21 111.625 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 318' ' ' PHE . . . -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.6 -0.727 . . . . 1.11 111.254 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.584 HG12 ' HB3' ' A' ' 322' ' ' CYS . 73.5 t -78.43 -67.33 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.946 -0.57 . . . . 1.06 111.856 -178.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.12 0.25 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.41 112.323 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 31.2 mmt180 61.46 28.64 17.94 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.292 0.568 . . . . 2.95 111.682 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.449 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.8 t0 -100.32 179.12 4.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.448 -0.945 . . . . 1.54 108.448 174.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -133.84 -168.42 11.82 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.751 -0.738 . . . . 0.7 112.026 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 111.98 -119.84 5.17 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.629 -0.796 . . . . 0.57 112.072 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.46 82.08 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.241 0.543 . . . . 1.91 110.431 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 58.8 mt -95.34 150.51 20.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.532 -0.758 . . . . 1.08 111.888 -176.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.45 114.49 31.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.359 -0.837 . . . . 1.05 109.066 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.721 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.9 m -102.4 148.32 25.63 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 2.08 110.926 -172.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.656 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 33.7 t -74.17 152.54 39.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.2 111.102 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.537 ' HA ' HH21 ' B' ' 2' ' ' ARG . 36.1 t70 -60.34 -67.03 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.166 -0.47 . . . . 0.66 110.856 175.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -73.11 -14.39 78.97 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.815 -0.629 . . . . 0.47 114.606 -172.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 28.0 p -136.8 132.25 18.38 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 117.855 0.828 . . . . 1.34 110.312 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.494 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 29.4 Cg_endo -64.05 -4.37 7.48 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.223 2.615 . . . . 0.88 114.264 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -57.4 123.85 16.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.969 0.414 . . . . 1.74 110.959 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 308' ' ' LEU . . . -106.69 151.46 25.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.605 -0.725 . . . . 1.05 109.563 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.584 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 51.9 m-85 -134.27 169.94 16.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.849 0.357 . . . . 0.26 110.578 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.1 m80 -98.77 146.21 26.14 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.223 -0.658 . . . . 0.21 109.223 170.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.661 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 96.3 mt -54.4 -52.11 62.72 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 123.37 0.419 . . . . 1.1 111.691 -173.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -75.75 -19.76 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 1.05 111.85 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.2 m -77.17 -22.19 52.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.483 -0.326 . . . . 0.21 110.98 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.04 158.33 36.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.004 0.431 . . . . 1.04 111.373 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.3 t -140.5 114.73 7.43 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.854 -0.612 . . . . 1.36 109.512 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.8 Cg_exo -71.39 139.93 61.82 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.699 -1.376 . . . . 0.92 111.836 -1.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.2 Cg_exo -67.91 142.35 56.81 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.969 2.446 . . . . 0.74 112.504 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -92.35 128.32 38.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.846 -0.616 . . . . 1.76 110.406 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -83.12 -22.41 33.36 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.213 0.53 . . . . 3.65 110.131 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.49 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.331 -0.85 . . . . 1.57 110.016 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.46 HG21 ' HB2' ' B' ' 1' ' ' ALA . 31.3 mm -72.89 126.79 90.36 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 1.08 112.126 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.603 ' HG2' ' HB3' ' B' ' 1' ' ' ALA . 12.4 Cg_endo -64.88 137.2 52.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.909 2.406 . . . . 0.5 112.115 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.2 t -93.2 52.44 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.607 -0.724 . . . . 2.09 110.5 -171.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.68 -170.58 39.39 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.851 -0.9 . . . . 0.68 110.851 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.6 p -65.74 120.46 13.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.296 0.569 . . . . 1.23 110.51 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.443 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -100.45 145.69 27.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.835 -0.621 . . . . 0.33 110.0 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.656 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.6 mtt180 -124.91 137.26 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 2.37 110.666 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 21.7 p -77.75 177.85 7.83 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.234 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.2 m -56.65 -46.53 81.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.668 -0.242 . . . . 1.9 111.157 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 48.9 m -57.24 -42.8 82.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.579 -0.282 . . . . 1.87 111.278 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 84.8 m -61.36 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.57 111.05 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.245 0.545 . . . . 1.43 110.29 -178.46 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.603 ' HB3' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.619 0.247 . . . . 1.07 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.779 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 35.0 ttm-85 -77.25 85.74 3.69 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.85 110.107 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.53 139.7 30.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.785 0.326 . . . . 1.41 110.96 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.8 mtpp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 1.4 110.354 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.72 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 6.5 p30 . . . . . 0 N--CA 1.446 -0.643 0 CA-C-O 121.3 0.572 . . . . 1.99 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.11 143.1 32.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.508 -0.769 . . . . 1.11 109.965 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . 0.472 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.5 m-20 -87.21 11.83 13.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.898 0.333 . . . . 0.49 111.898 -173.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.82 145.81 35.14 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.447 0.642 . . . . 2.53 110.576 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.5 t -75.52 137.43 40.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.566 -1.197 . . . . 0.21 111.745 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.433 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.02 -14.77 62.25 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.637 -0.71 . . . . 1.11 111.481 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.644 HG13 ' HB3' ' A' ' 322' ' ' CYS . 74.3 t -82.55 -64.56 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 1.06 111.749 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 304' ' ' ASP . 4.3 p -114.37 5.65 15.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.524 0.565 . . . . 0.41 112.524 -173.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 62.15 20.95 12.08 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.509 0.671 . . . . 2.95 110.79 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.624 ' HB2' ' SG ' ' A' ' 302' ' ' CYS . 0.2 OUTLIER -92.02 164.21 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.368 -0.833 . . . . 1.54 110.661 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -114.51 -175.37 18.72 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 110.768 -0.933 . . . . 0.7 110.768 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.65 -136.03 10.13 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.335 -0.936 . . . . 0.57 111.911 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.46 91.56 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 1.91 110.148 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.846 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 77.0 mt -100.07 149.31 23.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.829 -0.623 . . . . 1.08 111.954 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . 0.596 HG13 ' HB3' ' B' ' 1' ' ' ALA . 6.2 tt -128.89 108.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.169 -0.923 . . . . 1.05 109.371 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.825 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.1 t -95.84 147.55 23.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.361 0.601 . . . . 2.08 111.255 -176.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.561 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 40.9 t -74.99 155.64 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.029 -0.987 . . . . 0.2 111.47 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.483 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 17.9 t70 -59.92 -68.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.207 -0.451 . . . . 0.66 111.163 174.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.48 -4.04 86.11 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.845 -0.693 . . . . 0.47 113.671 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 72.0 m -129.23 132.63 24.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.276 0.538 . . . . 1.34 110.999 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 14.1 Cg_exo -67.0 -15.84 47.94 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.497 2.798 . . . . 0.88 113.785 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.433 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 88.6 mtt180 -59.44 129.86 44.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.062 0.458 . . . . 1.74 111.771 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.597 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -107.28 148.7 28.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.402 -0.817 . . . . 1.05 108.826 171.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.478 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 38.0 m-85 -131.96 171.4 13.62 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.724 0.297 . . . . 0.26 110.322 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.3 m80 -100.47 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.208 -0.664 . . . . 0.21 109.208 170.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.664 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 73.7 mt -54.08 -55.27 29.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.905 0.383 . . . . 1.1 111.623 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.9 -20.77 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.637 -0.711 . . . . 1.05 112.135 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.644 ' HB3' HG13 ' A' ' 301' ' ' VAL . 74.5 m -78.74 -25.5 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.21 111.563 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . 0.461 HD12 HD23 ' A' ' 327' ' ' LEU . 38.1 mt -65.5 160.29 22.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 1.04 111.603 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.2 t -139.05 110.95 7.87 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.099 -0.5 . . . . 1.36 109.864 174.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.9 Cg_exo -71.85 144.79 81.15 Favored 'Cis proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.695 -1.377 . . . . 0.92 112.249 -1.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 10.1 Cg_exo -67.96 138.1 43.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.967 2.445 . . . . 0.74 112.241 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.664 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.6 mm? -85.65 127.88 34.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 1.76 109.791 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -84.82 -18.57 34.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.404 0.621 . . . . 3.65 110.436 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.66 158.52 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.083 -0.962 . . . . 1.57 110.435 -172.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 330' ' ' ILE . 31.1 mm -81.78 114.02 47.09 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 1.08 110.059 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.61 133.08 37.95 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.848 2.365 . . . . 0.5 112.369 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 15.4 t -90.48 59.99 4.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.622 0.725 . . . . 2.09 109.865 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 179.08 -168.37 39.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.313 -0.858 . . . . 0.68 111.26 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.64 115.01 6.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.047 0.451 . . . . 1.23 110.871 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.561 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.2 t90 -96.56 147.08 24.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.33 110.048 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.548 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 97.2 mtt180 -124.94 134.21 52.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 2.37 111.098 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.7 p -78.68 175.08 10.75 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.198 -0.455 . . . . 0.63 109.966 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 19.6 m -52.07 -42.3 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.917 0.34 . . . . 1.9 111.917 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.8 m -55.71 -49.22 73.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.825 0.345 . . . . 1.87 111.572 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 82.1 m -65.98 -43.37 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.643 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 1.43 111.131 -178.641 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.596 ' HB3' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.879 -0.415 . . . . 1.07 109.879 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.825 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 33.7 ttm-85 -82.84 76.04 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.234 0.54 . . . . 0.85 109.918 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p -76.79 148.36 36.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.686 0.624 . . . . 1.41 112.686 -172.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.846 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 29.3 mtpp . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.177 -0.92 . . . . 1.4 109.245 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.765 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.3 p30 . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 120.807 0.337 . . . . 1.99 110.341 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . 0.411 ' O ' ' HE2' ' B' ' 4' ' ' LYS . 39.1 mt-10 -77.79 145.84 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.571 -0.529 . . . . 1.11 109.571 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . 0.566 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 40.6 m-20 -91.16 35.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.054 -0.258 . . . . 0.49 110.66 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 0.2 OUTLIER -141.88 153.98 44.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.412 0.625 . . . . 2.53 111.161 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.628 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 39.8 t -88.83 136.43 33.01 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.823 -1.08 . . . . 0.21 109.443 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 316' ' ' ARG . . . -66.23 -14.25 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.022 0.439 . . . . 1.11 111.476 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.51 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -79.28 -56.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 1.06 111.213 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -123.01 6.19 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.191 0.811 . . . . 0.41 113.191 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 58.89 33.04 22.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.098 0.475 . . . . 2.95 111.543 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.474 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 3.9 t70 -114.37 177.69 4.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.586 -0.524 . . . . 1.54 109.586 -178.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -126.82 -167.74 12.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.082 -0.58 . . . . 0.7 111.958 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 115.3 -119.74 4.72 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.034 -1.079 . . . . 0.57 111.984 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -80.97 85.61 6.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.314 0.578 . . . . 1.91 110.176 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 92.9 mt -102.55 142.67 33.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.318 -0.855 . . . . 1.08 111.907 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 7.4 tt -123.42 116.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.312 -0.858 . . . . 1.05 109.011 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 52.7 t -105.17 144.07 32.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 2.08 111.37 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 40.6 t -74.84 142.27 44.17 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.2 109.336 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.16 -64.79 0.83 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.414 -0.515 . . . . 0.66 111.478 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.85 -3.16 59.0 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.111 -0.566 . . . . 0.47 114.399 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 95.0 m -136.59 127.19 16.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 117.685 0.742 . . . . 1.34 110.743 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -66.48 -10.39 27.61 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.211 2.607 . . . . 0.88 113.735 -171.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.616 ' HD3' ' HB3' ' A' ' 300' ' ' ALA . 25.6 mtt180 -63.33 136.45 57.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 1.74 111.524 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.628 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.29 162.6 16.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.583 -0.735 . . . . 1.05 109.138 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 300' ' ' ALA . 56.0 m-85 -142.55 165.89 26.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.26 110.534 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.8 m80 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.29 -0.633 . . . . 0.21 109.29 171.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 330' ' ' ILE . 65.5 mt -56.57 -52.06 66.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.03 0.206 . . . . 1.1 111.288 -173.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.87 57.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.245 0.461 . . . . 1.05 112.245 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.503 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.5 m -79.15 -18.8 52.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.059 0.457 . . . . 0.21 110.66 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.76 152.2 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.081 0.467 . . . . 1.04 110.844 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -140.44 113.01 7.25 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.658 -0.701 . . . . 1.36 109.267 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.06 137.75 48.57 Favored 'Cis proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.284 -1.548 . . . . 0.92 112.576 0.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.85 147.84 75.63 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.88 2.386 . . . . 0.74 112.079 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -95.62 123.78 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.183 0.516 . . . . 1.76 110.732 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 328' ' ' ARG . 11.5 ptp180 -78.95 -27.07 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 3.65 110.77 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -142.28 154.17 44.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.632 -0.713 . . . . 1.57 109.655 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 320' ' ' LEU . 25.4 mm -79.2 119.31 76.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.113 0.483 . . . . 1.08 111.699 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 11.3 Cg_endo -63.13 139.11 70.95 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.951 2.434 . . . . 0.5 112.169 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 t -98.13 48.4 1.0 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.401 0.619 . . . . 2.09 110.189 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.37 -169.74 27.26 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.435 -0.802 . . . . 0.68 111.124 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.1 p -66.88 108.5 2.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.247 0.546 . . . . 1.23 110.754 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.49 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.9 t90 -88.81 142.53 27.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.33 109.755 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.465 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 79.1 mtt180 -114.92 133.26 56.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.037 -0.529 . . . . 2.37 110.635 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 28.5 p -78.19 176.42 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.974 -0.38 . . . . 0.63 109.974 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.8 m -51.57 -45.86 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.18 0.3 . . . . 1.9 111.76 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.3 m -56.43 -46.72 80.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.241 -0.436 . . . . 1.87 111.176 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.8 m -66.88 -42.72 85.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.57 111.441 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 1.43 111.046 -178.094 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.95 -0.389 . . . . 1.07 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 23.7 ttp180 -80.25 83.46 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.521 . . . . 0.85 109.885 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -83.21 147.26 28.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.425 0.631 . . . . 1.41 112.548 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.8 mtpp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.252 -0.885 . . . . 1.4 110.027 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.716 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.917 0 CA-C-O 120.953 0.406 . . . . 1.99 110.47 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.45 140.89 57.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.599 -0.728 . . . . 1.11 110.401 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.93 7.74 35.85 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.233 -0.654 . . . . 0.49 109.233 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.636 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 3.1 mp0 -131.65 142.67 49.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.533 -0.914 . . . . 2.53 108.533 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 38.0 t -69.14 138.19 53.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.403 -0.817 . . . . 0.21 110.314 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -59.85 -24.09 63.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.148 0.499 . . . . 1.11 111.013 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.566 HG13 ' HB3' ' A' ' 322' ' ' CYS . 72.9 t -75.35 -65.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.498 -0.774 . . . . 1.06 111.592 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.7 p -114.54 3.72 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.942 0.719 . . . . 0.41 112.942 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.423 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 29.4 mmm180 56.95 32.88 22.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.826 0.45 . . . . 2.95 111.281 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.636 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 1.2 t70 -104.03 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.636 -0.505 . . . . 1.54 109.636 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.89 13.59 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.462 -0.875 . . . . 0.7 112.335 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 115.8 -125.71 6.79 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.743 -0.741 . . . . 0.57 112.167 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.98 84.89 6.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.402 0.62 . . . . 1.91 110.567 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -95.9 146.51 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.175 -0.921 . . . . 1.08 111.935 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.64 112.16 31.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.105 -0.952 . . . . 1.05 109.165 171.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.7 m -101.89 148.79 24.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.926 -0.579 . . . . 2.08 110.399 -173.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 41.8 t -74.32 150.85 39.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.849 -0.614 . . . . 0.2 110.98 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.481 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.9 t70 -61.21 -67.1 0.44 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.263 -0.426 . . . . 0.66 110.885 175.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.4 -14.04 74.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 114.934 0.734 . . . . 0.47 114.934 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 16.3 p -136.44 134.04 19.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 118.027 0.914 . . . . 1.34 110.507 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.31 -6.93 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.777 2.984 . . . . 0.88 114.814 -173.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -62.42 131.89 50.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.371 . . . . 1.74 111.843 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.3 155.25 23.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 1.05 109.347 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.606 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 50.5 m-85 -138.76 167.24 22.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.918 0.39 . . . . 0.26 110.961 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.9 m80 -98.41 145.71 26.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.605 -0.887 . . . . 0.21 108.605 168.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 83.1 mt -53.65 -52.13 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.943 0.349 . . . . 1.1 111.943 -173.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.08 -23.24 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 1.05 112.081 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 76.4 m -75.83 -23.5 55.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.21 110.861 -176.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.0 157.1 34.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.153 -0.476 . . . . 1.04 111.45 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 30.8 t -139.47 113.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.009 -0.542 . . . . 1.36 109.636 173.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.5 Cg_exo -69.46 141.78 66.51 Favored 'Cis proline' 0 C--N 1.345 0.349 0 C-N-CA 123.734 -1.361 . . . . 0.92 112.165 -1.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 13.3 Cg_exo -67.27 143.65 65.24 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.759 2.306 . . . . 0.74 112.487 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 67.7 mt -89.33 135.89 33.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 1.76 110.623 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.87 -21.79 17.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.14 0.495 . . . . 3.65 110.16 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.49 161.16 38.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.464 -0.789 . . . . 1.57 110.419 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 330' ' ' ILE . 23.9 mm -86.91 118.35 69.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 1.08 111.167 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.662 ' HG2' ' HB3' ' B' ' 1' ' ' ALA . 16.3 Cg_endo -66.14 138.68 52.71 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.665 2.243 . . . . 0.5 112.312 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.3 m -98.27 47.27 1.0 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.464 0.649 . . . . 2.09 110.635 -174.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -165.19 -170.2 29.82 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.489 -0.778 . . . . 0.68 111.3 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.2 p -66.82 109.85 3.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.215 0.531 . . . . 1.23 110.917 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.437 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 75.1 t90 -94.91 146.85 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.024 -0.535 . . . . 0.33 110.363 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.688 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 52.4 mtt-85 -124.9 137.36 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 2.37 111.107 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 314' ' ' CYS . 17.3 p -80.86 178.51 8.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.63 109.962 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.6 p -55.71 -46.72 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 1.9 111.16 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.4 m -56.37 -45.47 80.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 1.87 111.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . . . . . . . . . 84.1 m -66.3 -40.06 89.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.33 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 94.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 1.43 110.709 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.662 ' HB3' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.773 -0.454 . . . . 1.07 109.773 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.716 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 43.8 ttm-85 -78.93 82.6 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.85 110.483 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.1 p -81.97 137.47 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.928 0.344 . . . . 1.41 111.928 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.2 mtpp . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.983 -0.553 . . . . 1.4 110.699 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.724 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 1.1 p30 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-O 121.147 0.499 . . . . 1.99 109.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.95 156.77 27.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.557 -0.747 . . . . 1.11 109.764 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.9 11.39 33.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.671 0.272 . . . . 0.49 110.78 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.97 143.43 40.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.434 0.635 . . . . 2.53 110.514 174.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.708 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.4 t -70.53 138.29 50.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.95 -1.023 . . . . 0.21 110.98 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -65.24 -11.21 38.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.65 -0.705 . . . . 1.11 111.256 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 322' ' ' CYS . 88.1 t -88.85 -66.97 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.107 -0.497 . . . . 1.06 111.612 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.0 p -108.67 7.76 26.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.575 0.583 . . . . 0.41 112.575 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 303' ' ' ARG . 28.0 mmt180 57.09 33.24 23.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.312 0.486 . . . . 2.95 112.312 176.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.47 174.19 6.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.654 -0.498 . . . . 1.54 109.654 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.05 -172.01 16.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.022 -0.609 . . . . 0.7 111.688 -176.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.65 -132.14 8.09 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.717 -0.754 . . . . 0.57 111.734 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.14 79.03 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.305 0.574 . . . . 1.91 110.246 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 59.6 mt -91.51 151.85 20.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.165 -0.925 . . . . 1.08 111.313 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' B' ' 1' ' ' ALA . 9.8 tt -132.53 106.09 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.441 -0.8 . . . . 1.05 109.064 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.93 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.0 t -89.81 146.29 24.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.355 -0.839 . . . . 2.08 111.495 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.588 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.5 t -74.65 154.2 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.117 -0.947 . . . . 0.2 111.16 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.45 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.9 t70 -60.24 -69.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.66 111.279 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.25 -4.38 89.66 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.023 -0.608 . . . . 0.47 113.884 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 72.5 m -128.38 127.41 23.67 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 117.132 0.466 . . . . 1.34 110.633 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.36 -11.32 29.7 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.088 2.525 . . . . 0.88 113.798 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -59.14 129.01 40.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.05 0.452 . . . . 1.74 111.199 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.48 145.94 39.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.444 -0.798 . . . . 1.05 108.912 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.469 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 57.8 m-85 -127.36 163.45 23.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.777 0.322 . . . . 0.26 111.407 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.552 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 41.1 m80 -90.07 145.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.188 -0.671 . . . . 0.21 109.188 170.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.27 -53.99 50.68 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.169 -0.212 . . . . 1.1 111.394 -173.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -69.86 -24.21 63.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.158 -0.473 . . . . 1.05 111.886 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 71.5 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.449 -0.341 . . . . 0.21 111.044 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.6 mt -73.09 159.18 33.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 1.04 111.962 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 30.7 t -140.0 114.41 7.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.508 -0.769 . . . . 1.36 109.712 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 12.5 Cg_exo -71.86 143.67 77.64 Favored 'Cis proline' 0 C--N 1.344 0.318 0 C-N-CA 123.728 -1.364 . . . . 0.92 111.913 -2.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.1 Cg_exo -72.21 123.76 9.45 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.662 2.241 . . . . 0.74 112.079 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.22 131.47 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 1.76 110.123 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -85.19 -25.79 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.204 0.526 . . . . 3.65 109.918 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.48 159.28 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.474 -0.785 . . . . 1.57 110.027 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 30.0 mm -77.17 116.71 59.76 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 1.08 111.538 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -68.7 138.0 40.21 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.926 2.417 . . . . 0.5 113.583 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.9 t -94.89 109.86 21.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.181 -0.918 . . . . 2.09 109.158 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 142.03 -170.88 24.76 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.856 -0.687 . . . . 0.68 111.583 -174.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.6 p -81.12 102.2 10.11 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.16 0.505 . . . . 1.23 111.012 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.588 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 90.5 t90 -85.5 142.37 29.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.963 -0.562 . . . . 0.33 109.612 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.549 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 20.4 mtm180 -125.74 137.85 53.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.843 -0.617 . . . . 2.37 111.121 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.5 172.97 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.365 -0.38 . . . . 0.63 110.215 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.9 m -54.53 -43.73 72.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.939 0.348 . . . . 1.9 111.939 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 37.6 t -56.36 -48.25 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.502 -0.317 . . . . 1.87 111.242 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 91.3 m -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.57 111.02 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.43 110.962 -178.769 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.877 -0.416 . . . . 1.07 109.877 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.93 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 28.1 ttm-85 -87.27 73.54 9.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.85 110.251 -173.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.63 144.12 49.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.945 -0.571 . . . . 1.41 111.585 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.724 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 49.9 mtpt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.041 -0.527 . . . . 1.4 110.134 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.624 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.959 -0.385 . . . . 1.99 109.959 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . 0.496 ' OE2' ' HG2' ' A' ' 316' ' ' ARG . 21.1 mt-10 -71.03 151.9 44.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.011 -0.54 . . . . 1.11 111.052 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.9 8.02 44.44 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.113 0.482 . . . . 0.49 109.985 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.441 ' HB2' ' HD3' ' A' ' 303' ' ' ARG . 1.1 mp0 -135.81 140.64 44.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.83 -0.804 . . . . 2.53 108.83 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.579 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 43.1 t -63.96 137.07 57.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.21 110.463 178.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -69.12 -13.04 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.092 0.473 . . . . 1.11 111.244 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -76.58 -59.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.722 -0.672 . . . . 1.06 111.231 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 11.2 p -127.12 3.81 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.81 0.67 . . . . 0.41 112.81 -173.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.441 ' HD3' ' HB2' ' A' ' 298' ' ' GLU . 24.8 mmt180 57.79 39.74 26.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.54 0.57 . . . . 2.95 112.54 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.424 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.7 t0 -107.18 178.18 4.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.162 -1.051 . . . . 1.54 108.162 171.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.57 -177.01 14.94 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.659 -0.781 . . . . 0.7 112.105 -175.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.88 -128.76 6.8 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.939 -0.648 . . . . 0.57 112.068 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.54 84.29 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 1.91 110.607 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -91.99 138.48 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.559 . . . . 1.08 112.069 -176.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.3 tt -120.95 119.96 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.091 -0.958 . . . . 1.05 108.783 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.714 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.6 m -108.83 147.28 32.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.101 0.477 . . . . 2.08 110.804 -171.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.572 ' HB3' ' SG ' ' A' ' 314' ' ' CYS . 44.5 t -74.54 153.13 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.435 -0.802 . . . . 0.2 110.596 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.615 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 35.4 t70 -60.87 -68.11 0.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.732 0.301 . . . . 0.66 111.492 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.72 83.42 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.903 0.721 . . . . 0.47 114.903 -170.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.572 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.5 p -136.2 133.96 19.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 117.912 0.856 . . . . 1.34 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.81 -11.62 27.67 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.571 2.847 . . . . 0.88 113.989 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.496 ' HG2' ' OE2' ' A' ' 296' ' ' GLU . 54.3 mtt180 -60.71 128.35 36.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.19 0.519 . . . . 1.74 111.534 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.26 155.75 23.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.318 -0.856 . . . . 1.05 109.289 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' A' ' 300' ' ' ALA . 57.9 m-85 -137.78 168.29 19.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.008 0.433 . . . . 0.26 111.336 -174.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.8 m80 -96.13 146.29 24.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.554 -0.748 . . . . 0.21 109.116 169.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.532 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.4 mt -56.14 -53.29 58.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.54 0.209 . . . . 1.1 111.373 -174.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.31 -23.16 59.03 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.464 0.542 . . . . 1.05 112.464 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.615 ' HB3' HG13 ' A' ' 301' ' ' VAL . 73.1 m -74.8 -20.54 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.018 0.437 . . . . 0.21 110.524 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.4 154.09 38.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 1.04 111.499 175.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 24.6 t -140.54 115.07 7.44 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.392 -0.822 . . . . 1.36 109.081 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.3 137.79 47.04 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.513 -1.453 . . . . 0.92 112.374 -0.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -70.83 146.77 54.46 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.028 2.486 . . . . 0.74 112.761 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.532 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -94.43 131.7 39.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.642 -0.708 . . . . 1.76 110.328 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . 0.739 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 7.7 ptp180 -83.51 -28.09 28.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.161 0.505 . . . . 3.65 110.403 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . 0.739 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 7.4 pt-20 -149.52 158.95 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.57 110.048 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.472 ' HA ' HD13 ' A' ' 330' ' ' ILE . 31.7 mm -72.36 125.18 91.47 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 1.08 112.26 -174.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.815 ' HG2' ' HB3' ' B' ' 1' ' ' ALA . 18.8 Cg_endo -64.71 146.93 89.54 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.329 2.686 . . . . 0.5 112.35 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.8 p -95.01 34.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 2.09 111.748 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.2 30.62 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.604 -0.807 . . . . 0.68 111.813 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.1 p -65.09 108.15 1.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 1.23 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.446 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.5 t90 -86.34 145.16 27.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.467 -0.788 . . . . 0.33 110.084 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.558 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.2 mtt180 -118.84 134.35 55.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 2.37 110.792 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.77 173.28 9.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.533 -0.303 . . . . 0.63 110.318 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 13.8 m -53.53 -44.53 69.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.836 0.35 . . . . 1.9 111.06 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 14.8 m -56.78 -43.37 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 1.87 111.206 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 92.0 m -63.79 -42.31 97.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.95 0.405 . . . . 0.57 111.137 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 1.43 110.8 -177.538 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.815 ' HB3' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.188 -0.301 . . . . 1.07 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.714 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 23.4 ttm-85 -75.31 139.68 42.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.529 -0.915 . . . . 0.85 108.529 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.77 143.36 41.08 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.621 -0.432 . . . . 1.41 111.371 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 1.4 110.841 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.749 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.61 -0.515 . . . . 1.99 109.61 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.14 132.41 45.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.933 -0.576 . . . . 1.11 109.519 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . 0.458 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 21.5 m-20 -90.31 6.08 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.49 111.34 -169.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.6 131.68 31.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.217 0.532 . . . . 2.53 110.017 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.7 t -59.79 137.92 57.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.088 -0.96 . . . . 0.21 111.67 -173.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 316' ' ' ARG . . . -67.53 -12.71 60.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.754 -0.657 . . . . 1.11 111.602 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 322' ' ' CYS . 88.4 t -83.25 -66.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 1.06 111.272 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.4 p -114.66 6.24 15.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.439 0.533 . . . . 0.41 112.439 -173.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 59.6 30.59 20.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.304 0.573 . . . . 2.95 111.848 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.552 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 48.0 t0 -105.95 159.92 15.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.42 -0.809 . . . . 1.54 109.531 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -113.14 -166.04 16.43 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.034 -0.603 . . . . 0.7 112.032 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 104.81 -112.19 3.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.452 -0.88 . . . . 0.57 112.553 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.67 77.73 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 1.91 110.534 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.953 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -99.15 150.38 22.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.365 -0.834 . . . . 1.08 111.947 -175.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.66 111.57 19.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.494 -0.776 . . . . 1.05 109.393 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 1.001 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 43.5 t -94.68 147.94 22.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.727 -0.67 . . . . 2.08 111.533 -174.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.601 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.6 t -74.23 147.91 42.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.03 -0.986 . . . . 0.2 110.185 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.45 -67.27 0.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.837 -0.345 . . . . 0.66 111.238 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.13 88.56 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.871 -0.68 . . . . 0.47 113.65 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 77.1 m -130.43 126.71 22.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 117.337 0.569 . . . . 1.34 110.86 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.93 -20.69 45.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.773 2.982 . . . . 0.88 114.976 -173.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' ' 300' ' ' ALA . 68.4 mtt-85 -59.17 136.73 58.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.397 0.518 . . . . 1.74 112.397 -177.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -118.34 151.99 36.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.368 -0.833 . . . . 1.05 109.164 173.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.501 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 53.2 m-85 -134.51 169.43 17.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.499 -0.318 . . . . 0.26 110.833 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -95.89 146.18 24.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.128 -0.693 . . . . 0.21 109.128 170.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.8 mt -56.19 -54.14 48.74 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.17 0.293 . . . . 1.1 111.566 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.39 -20.22 60.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.069 -0.514 . . . . 1.05 111.931 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 72.0 m -77.19 -23.35 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.21 111.115 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.21 155.01 41.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 1.04 111.155 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 2.9 m -138.72 109.13 7.84 Favored Pre-proline 0 N--CA 1.434 -1.274 0 CA-C-N 115.977 -0.556 . . . . 1.36 110.17 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.0 Cg_exo -69.96 144.59 77.52 Favored 'Cis proline' 0 C--N 1.345 0.381 0 C-N-CA 124.1 -1.208 . . . . 0.92 112.336 -1.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 7.0 Cg_exo -70.52 141.33 41.87 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.816 2.344 . . . . 0.74 112.331 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.642 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.3 mm? -91.59 124.26 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.239 -0.652 . . . . 1.76 109.239 175.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -86.29 -21.1 27.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.413 0.625 . . . . 3.65 110.165 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -137.11 152.22 49.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.139 -0.937 . . . . 1.57 110.171 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 330' ' ' ILE . 32.6 mm -81.89 117.1 67.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.187 0.518 . . . . 1.08 111.579 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.512 ' HG2' ' HB1' ' B' ' 1' ' ' ALA . 16.7 Cg_endo -67.7 138.05 44.01 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.857 2.371 . . . . 0.5 112.964 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 23.2 m -96.37 43.93 1.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.835 0.826 . . . . 2.09 110.33 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -155.6 -172.26 22.98 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.132 -0.94 . . . . 0.68 111.296 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 24.5 p -69.5 105.37 2.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.113 0.482 . . . . 1.23 110.604 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.601 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.0 t90 -88.8 143.56 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.33 110.19 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.465 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 91.1 mtt180 -114.11 138.03 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 2.37 111.456 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . 0.435 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 29.4 p -86.95 -175.64 5.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.422 -0.354 . . . . 0.63 110.05 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 1.5 p -55.97 -46.86 78.51 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.9 0.704 . . . . 1.9 112.9 -176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.0 t -56.95 -42.33 79.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.72 0.295 . . . . 1.87 111.211 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.0 m -65.08 -42.34 94.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.57 111.006 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.2 mt . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 1.43 111.118 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.512 ' HB1' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.989 -0.374 . . . . 1.07 109.989 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 1.001 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 24.7 ttm-85 -90.74 73.69 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.85 110.118 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 134.81 47.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.035 -0.529 . . . . 1.41 111.239 -177.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.953 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.2 mtpp . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 1.4 110.38 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.685 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 2.6 p30 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.637 -0.505 . . . . 1.99 109.637 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . 0.532 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 58.7 mt-10 -61.84 150.64 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.912 0.387 . . . . 1.11 110.292 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -108.06 4.98 25.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.785 -0.82 . . . . 0.49 108.785 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.65 124.27 18.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.545 -1.207 . . . . 2.53 108.762 177.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 22.7 t -53.38 137.89 34.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.664 -0.698 . . . . 0.21 111.415 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 318' ' ' PHE . . . -62.69 -16.87 59.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 1.11 111.543 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.581 HG12 ' HB3' ' A' ' 322' ' ' CYS . 71.3 t -81.37 -60.86 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.946 -0.57 . . . . 1.06 111.746 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 13.3 p -120.97 3.74 10.49 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.502 0.556 . . . . 0.41 112.502 -173.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 36.1 mmt180 58.1 34.06 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.132 0.573 . . . . 2.95 112.337 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.541 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 37.2 t0 -105.32 164.69 11.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 1.54 109.255 174.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -110.79 -164.5 18.71 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.062 -0.59 . . . . 0.7 111.933 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 113.94 -131.54 9.99 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.846 -0.693 . . . . 0.57 111.891 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.62 83.44 4.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.089 0.471 . . . . 1.91 110.342 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 91.9 mt -89.8 146.79 24.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.327 -0.851 . . . . 1.08 111.811 -177.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . 0.504 HG13 ' HB3' ' B' ' 1' ' ' ALA . 4.6 tt -123.58 107.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.3 -0.863 . . . . 1.05 109.125 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.805 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 41.8 t -98.68 146.63 25.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.271 0.558 . . . . 2.08 111.342 -174.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 38.8 t -74.65 152.14 39.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.125 -0.943 . . . . 0.2 111.352 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.552 ' HA ' HH21 ' B' ' 2' ' ' ARG . 20.3 t70 -60.68 -68.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.72 0.295 . . . . 0.66 111.549 175.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -82.51 -5.07 89.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.937 -0.649 . . . . 0.47 113.66 -172.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 90.9 m -129.22 128.38 23.27 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.985 0.421 . . . . 1.34 110.781 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.4 -21.27 44.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 124.041 3.16 . . . . 0.88 113.931 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.532 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 90.7 mtt180 -60.29 127.32 31.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 1.74 112.234 -175.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.36 148.66 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.902 -1.044 . . . . 1.05 108.513 175.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.58 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 40.4 m-85 -131.39 171.83 12.9 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.973 0.416 . . . . 0.26 111.17 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.561 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 37.0 m80 -99.88 146.28 26.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.705 -0.85 . . . . 0.21 108.705 169.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.6 mt -55.37 -52.45 63.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.852 0.316 . . . . 1.1 111.852 -173.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.12 -23.29 61.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 1.05 111.944 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.581 ' HB3' HG12 ' A' ' 301' ' ' VAL . 83.3 m -75.19 -25.26 58.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.409 -0.359 . . . . 0.21 111.195 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.74 159.94 26.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.957 0.408 . . . . 1.04 111.707 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 33.3 t -139.26 112.27 7.94 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 1.36 109.726 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 8.0 Cg_exo -74.06 140.69 68.7 Favored 'Cis proline' 0 C--O 1.236 0.388 0 C-N-CA 123.901 -1.291 . . . . 0.92 112.07 -0.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.0 Cg_exo -68.31 141.19 50.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.16 2.573 . . . . 0.74 112.696 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.546 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 79.7 mt -90.81 140.28 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.502 -0.772 . . . . 1.76 110.598 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -92.82 -22.82 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 3.65 109.819 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -140.86 165.27 27.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.304 -0.862 . . . . 1.57 110.39 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.464 HD11 ' HA ' ' A' ' 330' ' ' ILE . 25.1 mm -84.35 125.81 71.02 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 1.08 111.833 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.663 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.2 Cg_endo -61.98 138.84 75.81 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.081 2.52 . . . . 0.5 112.733 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 26.2 m -93.26 46.97 1.23 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.689 . . . . 2.09 111.278 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.82 37.57 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.17 -0.772 . . . . 0.68 111.17 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.3 p -66.73 120.71 13.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 1.23 110.665 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -96.06 148.82 22.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.119 -0.491 . . . . 0.33 110.352 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.569 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.1 mtt180 -124.39 133.63 53.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 2.37 110.75 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.4 p -80.14 179.48 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.52 . . . . 0.63 110.747 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.5 p -53.46 -47.14 70.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 1.9 111.849 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 27.5 t -56.42 -42.92 78.83 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.141 -0.481 . . . . 1.87 111.157 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.9 m -61.87 -42.22 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.014 0.435 . . . . 0.57 111.276 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 1.43 110.783 -176.752 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.824 -0.435 . . . . 1.07 109.824 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.805 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 40.9 ttm-85 -75.29 77.77 2.39 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.098 0.475 . . . . 0.85 110.205 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 308' ' ' LEU . 8.6 p -81.43 140.53 34.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 1.41 111.392 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.652 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 52.5 mtpt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 1.4 111.139 -176.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.738 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.158 0.504 . . . . 1.99 110.13 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.68 162.4 23.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.668 . . . . 1.11 110.008 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -104.61 16.37 26.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.49 111.383 -172.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.5 150.64 31.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.294 0.568 . . . . 2.53 110.396 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 53.6 t -73.08 137.29 45.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.869 -1.06 . . . . 0.21 111.305 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.67 -15.63 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.668 -0.696 . . . . 1.11 111.225 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 322' ' ' CYS . 73.0 t -82.97 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.683 -0.69 . . . . 1.06 111.736 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 15.4 p -109.62 -0.06 18.84 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.203 0.446 . . . . 0.41 112.203 -172.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 63.39 21.9 13.01 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.663 0.385 . . . . 2.95 111.887 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.91 171.56 7.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.121 -0.696 . . . . 1.54 109.121 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.55 -167.68 14.36 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.098 -0.573 . . . . 0.7 112.067 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 117.32 -141.07 16.29 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.851 -0.69 . . . . 0.57 111.797 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.96 87.4 0.37 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.392 0.615 . . . . 1.91 110.372 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.717 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 62.5 mt -91.84 147.47 22.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.349 -0.841 . . . . 1.08 111.549 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . 0.431 HG13 ' HB1' ' B' ' 1' ' ' ALA . 7.7 tt -120.84 107.19 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.399 -0.963 . . . . 1.05 108.399 171.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.764 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.8 t -98.71 147.9 24.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.417 -0.81 . . . . 2.08 110.758 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.529 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 42.8 t -73.29 150.04 42.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.2 111.102 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.6 -67.45 0.38 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.378 -0.374 . . . . 0.66 111.154 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -86.67 6.51 82.45 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.734 -0.746 . . . . 0.47 113.822 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 85.2 m -135.89 128.47 17.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.085 0.442 . . . . 1.34 110.348 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.48 -11.88 33.73 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.064 2.509 . . . . 0.88 113.916 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -62.51 135.77 57.57 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.026 0.441 . . . . 1.74 111.427 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.717 ' HB2' ' HB3' ' A' ' 308' ' ' LEU . . . -114.61 150.11 35.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 1.05 109.15 175.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.478 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.1 m-85 -133.16 168.78 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.724 0.297 . . . . 0.26 110.908 -176.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.619 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 36.5 m80 -97.24 145.27 26.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.258 -0.645 . . . . 0.21 109.258 170.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.655 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.0 mt -52.81 -51.77 59.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.05 0.389 . . . . 1.1 112.05 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.12 -18.68 55.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 1.05 111.813 -174.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 77.5 m -77.01 -24.88 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.374 . . . . 0.21 110.727 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.42 156.25 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.995 -0.548 . . . . 1.04 111.4 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.8 t -140.49 117.07 7.84 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.33 -0.618 . . . . 1.36 109.33 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.57 134.46 31.12 Favored 'Cis proline' 0 C--N 1.343 0.256 0 C-N-CA 123.481 -1.466 . . . . 0.92 112.051 -0.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.42 141.03 45.45 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.807 2.338 . . . . 0.74 112.539 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.655 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -89.43 126.43 35.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.755 -0.657 . . . . 1.76 109.834 178.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.81 -25.13 38.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.607 . . . . 3.65 109.959 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.36 162.85 34.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.063 -0.971 . . . . 1.57 109.891 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 330' ' ' ILE . 43.2 mm -81.48 123.79 80.71 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.797 -0.638 . . . . 1.08 111.335 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.16 133.63 36.15 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.46 2.107 . . . . 0.5 112.055 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.1 m -87.67 53.19 2.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.251 0.548 . . . . 2.09 110.986 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.19 -168.38 36.29 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.472 -0.651 . . . . 0.68 111.472 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.4 p -65.54 117.51 8.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 1.23 111.143 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.529 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.3 t90 -96.83 145.77 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.448 . . . . 0.33 109.95 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.524 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.9 mtt180 -123.88 136.49 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.903 -0.59 . . . . 2.37 110.914 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.6 p -78.51 176.45 9.4 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.236 -0.438 . . . . 0.63 110.595 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -46.93 65.71 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.224 0.327 . . . . 1.9 111.573 -177.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.9 t -57.52 -43.2 84.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.089 -0.505 . . . . 1.87 111.003 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.4 m -65.62 -41.88 92.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.57 111.314 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 1.43 110.633 -178.555 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.837 -0.431 . . . . 1.07 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.764 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.0 ttm-85 -73.55 83.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.85 110.307 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.38 140.26 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.098 0.475 . . . . 1.41 112.055 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.738 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 50.5 mtpt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 1.4 110.511 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.663 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.516 -0.343 0 N-CA-C 109.263 -0.643 . . . . 1.99 109.263 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.37 140.51 52.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.99 -0.55 . . . . 1.11 110.352 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -91.99 5.45 50.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.49 110.61 -173.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.68 133.36 36.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 2.53 109.837 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 40.4 t -63.05 137.71 58.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.791 -1.095 . . . . 0.21 112.084 -172.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.555 ' HB2' HH11 ' A' ' 316' ' ' ARG . . . -65.37 -16.83 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.42 -0.809 . . . . 1.11 111.403 178.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.63 HG12 ' HB3' ' A' ' 322' ' ' CYS . 97.6 t -81.62 -70.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.876 -0.602 . . . . 1.06 111.33 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.91 -1.61 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.328 0.492 . . . . 0.41 112.328 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.484 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 26.3 mmt180 62.32 26.89 16.09 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.41 0.624 . . . . 2.95 112.18 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -104.6 176.54 5.12 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.337 -0.847 . . . . 1.54 109.174 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.76 -173.06 16.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.131 -1.033 . . . . 0.7 111.599 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 120.66 -125.53 6.27 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.767 -0.73 . . . . 0.57 113.081 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -78.64 85.21 4.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 1.91 110.196 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -99.23 140.89 32.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.518 -0.764 . . . . 1.08 111.76 -174.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 11.2 tt -123.98 123.52 66.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.231 -0.895 . . . . 1.05 108.698 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 50.0 t -112.08 144.38 41.53 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.99 -0.55 . . . . 2.08 110.393 -170.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.751 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 21.1 t -74.43 150.75 39.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.785 . . . . 0.2 111.027 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.585 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 29.3 t70 -60.13 -67.01 0.43 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.525 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.44 -11.25 71.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.004 0.762 . . . . 0.47 115.004 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.661 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 12.9 p -134.48 133.85 21.91 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 118.517 1.158 . . . . 1.34 110.782 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.56 -10.44 21.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.715 2.943 . . . . 0.88 113.978 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.555 HH11 ' HB2' ' A' ' 300' ' ' ALA . 49.8 mtt180 -62.43 138.19 58.41 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.937 0.398 . . . . 1.74 111.372 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -121.6 149.66 42.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.105 -0.702 . . . . 1.05 109.105 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.627 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 59.1 m-85 -132.36 167.93 19.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.872 0.368 . . . . 0.26 110.849 -173.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 51.4 m80 -96.87 146.34 25.02 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.601 -0.889 . . . . 0.21 108.601 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 81.8 mt -54.4 -51.4 64.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.765 0.257 . . . . 1.1 111.189 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.95 -18.69 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 1.05 112.012 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.63 ' HB3' HG12 ' A' ' 301' ' ' VAL . 88.5 m -77.57 -23.47 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.75 0.31 . . . . 0.21 111.093 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.9 153.02 44.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 1.04 111.087 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 2.9 p -139.09 111.06 7.87 Favored Pre-proline 0 N--CA 1.434 -1.258 0 CA-C-N 115.628 -0.714 . . . . 1.36 110.071 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.57 139.55 59.82 Favored 'Cis proline' 0 C--O 1.234 0.305 0 C-N-CA 123.668 -1.388 . . . . 0.92 112.479 -0.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -67.84 147.26 74.53 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.072 2.514 . . . . 0.74 112.897 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 93.5 mt -92.73 130.93 38.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.589 -0.732 . . . . 1.76 110.324 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -87.71 -22.17 24.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.213 0.53 . . . . 3.65 110.137 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.76 162.39 37.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.617 -0.72 . . . . 1.57 110.062 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 45.6 mm -79.85 117.94 69.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.008 -0.542 . . . . 1.08 111.083 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.409 ' HG2' ' CD1' ' A' ' 335' ' ' TRP . 53.4 Cg_exo -49.36 141.17 25.47 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.869 3.046 . . . . 0.5 113.093 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 16.2 m -94.72 32.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 2.09 111.129 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -170.46 -164.24 25.85 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.827 -0.701 . . . . 0.68 111.877 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.6 p -64.72 110.2 2.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 1.23 111.398 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.446 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -97.05 145.46 25.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.724 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.751 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.8 mtt180 -123.39 141.17 52.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 2.37 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.63 173.11 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.63 109.271 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 8.0 m -54.45 -45.95 73.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 1.9 110.953 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 21.8 t -60.6 -43.82 96.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.216 -0.447 . . . . 1.87 110.936 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.5 m -65.31 -40.53 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.447 -0.342 . . . . 0.57 111.609 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 1.43 109.817 176.144 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.099 -0.334 . . . . 1.07 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.663 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 31.7 ttm-85 -67.38 138.72 56.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 107.636 -1.246 . . . . 0.85 107.636 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.63 148.73 49.09 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.014 -0.674 . . . . 1.41 110.999 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.612 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.2 mtpp . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 1.4 109.771 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.733 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 108.965 -0.754 . . . . 1.99 108.965 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -87.22 138.15 31.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.527 -0.761 . . . . 1.11 110.839 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.75 35.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.899 -0.591 . . . . 0.49 111.704 -172.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -155.95 143.15 19.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.585 0.707 . . . . 2.53 110.578 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.9 t -72.29 136.81 46.36 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.713 -1.13 . . . . 0.21 110.754 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.439 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -64.57 -15.46 61.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 1.11 111.464 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.576 HG12 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -81.95 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 1.06 111.496 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.4 p -110.43 6.05 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.28 0.474 . . . . 0.41 112.28 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 303' ' ' ARG . 28.9 mmt180 58.36 31.18 20.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.3 0.572 . . . . 2.95 111.872 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.537 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 55.8 t0 -111.65 159.68 17.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.471 -0.786 . . . . 1.54 109.195 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -111.08 -160.14 16.52 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.996 -0.621 . . . . 0.7 111.986 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.51 -123.91 7.02 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.419 -0.896 . . . . 0.57 112.222 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.43 79.22 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.576 0.703 . . . . 1.91 110.523 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' A' ' 317' ' ' ALA . 64.7 mt -90.41 153.0 20.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 1.08 112.281 -175.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . 0.416 HG13 ' HB3' ' B' ' 1' ' ' ALA . 5.7 tt -127.39 113.18 30.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.734 -1.121 . . . . 1.05 108.57 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.694 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 49.6 t -102.99 146.39 28.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.078 -0.51 . . . . 2.08 110.854 -173.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.733 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.2 t -75.55 152.3 37.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.451 -0.795 . . . . 0.2 111.43 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.627 ' HA ' HH21 ' B' ' 2' ' ' ARG . 34.5 t70 -60.71 -66.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.15 -0.477 . . . . 0.66 111.1 173.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.0 -16.54 76.66 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 114.949 0.74 . . . . 0.47 114.949 -171.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 30.1 p -134.39 133.75 21.91 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 117.978 0.889 . . . . 1.34 111.12 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 36.8 Cg_exo -62.25 -6.74 8.8 Favored 'Trans proline' 0 N--CA 1.477 0.532 0 C-N-CA 124.087 3.192 . . . . 0.88 114.308 -174.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . 0.439 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 74.0 mtt180 -63.84 130.02 42.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.003 0.43 . . . . 1.74 111.13 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.645 ' HB3' ' HB3' ' A' ' 308' ' ' LEU . . . -109.93 158.34 18.32 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.639 -0.874 . . . . 1.05 108.639 172.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.527 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 35.1 m-85 -139.45 171.48 14.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.856 0.36 . . . . 0.26 110.914 -176.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.537 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 45.2 m80 -99.15 145.88 26.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.664 -0.865 . . . . 0.21 108.664 168.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 64.2 mt -54.56 -53.34 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.81 0.338 . . . . 1.1 111.832 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.27 58.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 1.05 111.742 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.576 ' HB3' HG12 ' A' ' 301' ' ' VAL . 72.3 m -77.77 -23.55 49.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.356 -0.383 . . . . 0.21 111.465 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 327' ' ' LEU . 23.8 mt -63.36 159.42 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.487 . . . . 1.04 112.076 177.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 32.0 t -139.33 111.87 7.83 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 115.767 -0.652 . . . . 1.36 109.443 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.4 Cg_exo -69.31 143.99 74.48 Favored 'Cis proline' 0 C--N 1.345 0.346 0 C-N-CA 123.693 -1.378 . . . . 0.92 112.11 -2.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.0 Cg_exo -71.03 135.53 27.65 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.004 2.47 . . . . 0.74 112.235 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.591 HD22 HD11 ' A' ' 323' ' ' LEU . 4.4 mm? -89.07 126.38 35.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.087 -0.506 . . . . 1.76 110.034 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -90.15 -19.61 24.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.365 0.602 . . . . 3.65 110.429 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.74 149.17 43.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 1.57 110.041 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 38.5 mm -76.33 120.16 80.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.464 . . . . 1.08 111.168 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -58.32 137.0 78.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.376 2.718 . . . . 0.5 112.44 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 49.1 m -95.55 47.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.763 -0.653 . . . . 2.09 110.535 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.78 -168.18 35.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.752 -0.658 . . . . 0.68 111.806 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.86 116.84 7.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.442 . . . . 1.23 111.15 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -99.95 147.14 25.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.255 -0.43 . . . . 0.33 111.109 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.733 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 63.6 mtt180 -126.0 136.62 53.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 2.37 110.45 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -69.59 172.2 7.74 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.551 -0.295 . . . . 0.63 110.87 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.8 m -55.06 -42.52 72.84 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.901 0.381 . . . . 1.9 110.885 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.2 m -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 1.87 111.177 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 73.5 m -66.51 -42.6 87.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.264 -0.426 . . . . 0.57 110.938 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 1.43 110.802 -178.245 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.416 ' HB3' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.706 -0.479 . . . . 1.07 109.706 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 43.8 ttm-85 -77.79 76.18 4.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 0.85 110.207 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -77.35 146.76 36.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.188 0.518 . . . . 1.41 111.693 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.733 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.7 mtpp . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.655 -0.702 . . . . 1.4 110.076 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.757 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.825 -0.435 . . . . 1.99 109.825 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.19 137.7 48.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.192 -0.458 . . . . 1.11 110.24 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.6 m-20 -89.73 13.24 14.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.272 0.558 . . . . 0.49 109.657 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . 0.42 ' HB3' ' C ' ' A' ' 303' ' ' ARG . 6.6 mp0 -132.43 145.61 51.33 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.284 -0.871 . . . . 2.53 108.723 174.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 43.2 t -70.96 138.96 50.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.468 -0.787 . . . . 0.21 110.781 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -62.71 -22.22 66.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.424 . . . . 1.11 111.3 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 322' ' ' CYS . 77.6 t -75.74 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.901 -0.59 . . . . 1.06 111.538 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -118.17 2.56 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.804 0.668 . . . . 0.41 112.804 -172.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . 0.42 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 26.1 mmm180 57.14 29.77 17.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.155 0.582 . . . . 2.95 111.27 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.594 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 6.4 t0 -99.19 165.71 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.457 -0.942 . . . . 1.54 108.457 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.31 -170.41 15.71 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.724 -0.751 . . . . 0.7 112.252 -175.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 112.71 -119.36 4.9 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.463 -0.875 . . . . 0.57 112.596 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.81 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.76 0.791 . . . . 1.91 110.115 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.879 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 86.2 mt -106.23 150.95 25.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.519 -1.219 . . . . 1.08 111.703 -172.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.0 tt -131.88 114.51 24.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.306 -0.861 . . . . 1.05 108.811 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.785 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.7 t -103.12 147.37 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.964 -0.562 . . . . 2.08 110.972 -172.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.0 t -74.43 152.15 39.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.423 -0.808 . . . . 0.2 111.014 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.412 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.3 t70 -60.2 -68.22 0.31 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.431 -0.349 . . . . 0.66 111.221 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.24 -2.85 90.39 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.059 -0.591 . . . . 0.47 113.994 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 75.9 m -129.97 129.89 23.06 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 117.207 0.504 . . . . 1.34 110.447 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.92 -9.04 23.44 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 123.228 2.619 . . . . 0.88 113.643 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -62.41 131.63 49.88 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.896 0.379 . . . . 1.74 111.183 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -112.66 153.96 26.84 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.814 -0.81 . . . . 1.05 108.814 172.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.569 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 47.4 m-85 -135.78 163.44 30.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.75 0.31 . . . . 0.26 111.131 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.594 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 40.3 m80 -93.51 147.05 23.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.926 -0.768 . . . . 0.21 108.926 169.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.2 mt -55.95 -54.37 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.679 0.276 . . . . 1.1 111.351 -173.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.42 -23.27 61.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 1.05 112.178 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.555 ' HB3' HG12 ' A' ' 301' ' ' VAL . 81.6 m -76.0 -22.39 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.21 110.861 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . 0.511 HD13 HD21 ' A' ' 327' ' ' LEU . 20.1 mt -71.49 156.9 38.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.311 0.577 . . . . 1.04 111.59 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 18.7 t -140.39 110.33 6.92 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 108.572 -0.899 . . . . 1.36 108.572 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.4 Cg_endo -74.26 144.4 80.86 Favored 'Cis proline' 0 C--O 1.233 0.231 0 C-N-CA 123.251 -1.562 . . . . 0.92 112.626 2.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.9 Cg_exo -71.94 127.73 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.82 2.347 . . . . 0.74 112.018 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.511 HD21 HD13 ' A' ' 323' ' ' LEU . 4.0 mm? -79.02 124.35 28.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.157 -0.474 . . . . 1.76 110.243 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . 0.588 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 15.2 ptm180 -74.86 -25.52 59.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 3.65 110.756 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . 0.588 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 5.1 pt-20 -157.15 160.47 38.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.545 -0.752 . . . . 1.57 110.054 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 330' ' ' ILE . 28.1 mm -69.44 125.68 92.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 112.714 0.635 . . . . 1.08 112.714 -172.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . 0.768 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 19.6 Cg_endo -64.46 142.65 79.33 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.486 2.791 . . . . 0.5 112.178 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 14.8 m -96.07 36.63 1.3 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.907 -0.588 . . . . 2.09 111.453 -172.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -164.43 -165.85 22.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.655 -0.783 . . . . 0.68 111.833 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 2.0 p -65.19 109.8 2.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.45 . . . . 1.23 110.913 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.483 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.6 t90 -92.13 141.21 28.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.33 110.028 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.504 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 69.6 mtt85 -119.17 132.9 56.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.739 -0.664 . . . . 2.37 111.025 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.3 -179.3 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.381 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.7 p -53.2 -46.74 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 1.9 111.9 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 4.8 m -54.22 -47.85 71.7 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.126 -0.488 . . . . 1.87 111.392 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 71.6 m -66.23 -42.54 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.57 111.115 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.176 0.512 . . . . 1.43 110.602 -179.044 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.768 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.999 -0.371 . . . . 1.07 109.999 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.785 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -80.92 69.2 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.401 -0.592 . . . . 0.85 109.401 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.45 141.27 48.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.57 -0.741 . . . . 1.41 111.36 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.0 mtpp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 1.4 109.827 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 295' ' ' ASN . . . . . 0.776 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 109.617 -0.512 . . . . 1.99 109.617 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.12 141.99 31.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.392 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 297' ' ' ASP . . . . . 0.537 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 7.2 m-20 -91.02 35.36 0.91 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.072 0.463 . . . . 0.49 111.088 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.34 144.72 29.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.46 0.648 . . . . 2.53 110.29 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 299' ' ' CYS . . . . . 0.699 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.0 t -77.91 137.29 38.27 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.807 -1.088 . . . . 0.21 110.34 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 300' ' ' ALA . . . . . 0.441 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -65.85 -16.83 64.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 1.11 111.068 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 301' ' ' VAL . . . . . 0.614 HG11 ' HB3' ' A' ' 322' ' ' CYS . 82.1 t -80.81 -61.17 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 1.06 112.006 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 8.4 p -120.79 9.31 10.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.733 0.642 . . . . 0.41 112.733 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 59.83 28.15 17.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.06 0.457 . . . . 2.95 111.582 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 304' ' ' ASP . . . . . 0.532 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 52.0 t0 -107.0 167.04 10.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 1.54 109.819 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -118.8 -167.96 14.01 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.426 -0.67 . . . . 0.7 111.426 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 114.98 -119.15 4.54 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.365 -0.921 . . . . 0.57 111.814 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.2 82.89 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.869 0.366 . . . . 1.91 110.077 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 308' ' ' LEU . . . . . 0.889 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -99.5 144.39 28.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 1.08 111.607 -175.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.5 tt -127.98 112.26 26.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.395 -0.82 . . . . 1.05 109.086 172.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 310' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 44.3 t -96.47 139.15 33.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.636 . . . . 2.08 111.247 -173.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 311' ' ' CYS . . . . . 0.698 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 36.3 t -75.23 146.79 40.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.727 -1.124 . . . . 0.2 111.086 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 312' ' ' ASP . . . . . 0.623 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.8 t70 -61.86 -64.92 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.66 110.965 174.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.52 -27.96 55.14 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.734 -0.666 . . . . 0.47 114.606 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 29.5 p -136.41 133.0 19.06 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 117.587 0.694 . . . . 1.34 110.262 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.63 0.42 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.378 2.719 . . . . 0.88 113.942 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -60.28 140.12 57.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 1.74 110.619 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 317' ' ' ALA . . . . . 0.699 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -116.99 157.14 26.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.653 -0.869 . . . . 1.05 108.653 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 318' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.3 m-85 -137.1 171.37 14.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.494 0.188 . . . . 0.26 110.57 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 319' ' ' HIS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 53.6 m80 -100.59 146.06 27.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.017 -0.735 . . . . 0.21 109.017 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 320' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.8 mt -55.85 -51.83 66.17 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.662 0.245 . . . . 1.1 111.662 -173.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.69 -19.84 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.266 0.469 . . . . 1.05 112.266 -176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 322' ' ' CYS . . . . . 0.614 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -78.26 -24.45 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.21 110.859 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 323' ' ' LEU . . . . . 0.4 HD23 ' CG ' ' A' ' 318' ' ' PHE . 75.6 mt -70.76 154.26 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.312 -0.404 . . . . 1.04 111.245 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 t -140.32 117.34 8.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.34 -0.615 . . . . 1.36 109.34 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.25 135.68 38.04 Favored 'Cis proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.36 -1.517 . . . . 0.92 112.063 -2.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -63.63 147.15 92.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.22 2.613 . . . . 0.74 113.006 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -95.67 127.37 41.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.63 . . . . 1.76 109.793 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -87.75 -20.89 25.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.445 0.64 . . . . 3.65 110.3 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -137.69 153.67 49.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 1.57 110.345 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' ILE . . . . . 0.4 ' CD1' HD21 ' A' ' 320' ' ' LEU . 31.1 mm -80.16 117.68 68.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.074 -0.512 . . . . 1.08 110.942 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.06 142.95 47.96 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.67 2.247 . . . . 0.5 112.604 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 36.6 m -103.28 106.85 17.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.873 -0.603 . . . . 2.09 109.728 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.54 -169.76 25.02 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.008 -0.837 . . . . 0.68 111.008 -173.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 p -77.22 106.72 9.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.292 0.568 . . . . 1.23 111.003 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' TRP . . . . . 0.498 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.6 t90 -92.85 143.89 25.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.873 -0.603 . . . . 0.33 109.719 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' ARG . . . . . 0.698 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.6 mtt180 -126.68 140.49 52.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.928 0.394 . . . . 2.37 111.024 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 18.5 p -76.65 177.68 7.33 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.933 -0.576 . . . . 0.63 109.973 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 7.8 p -56.53 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.625 0.25 . . . . 1.9 111.474 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.0 t -58.94 -42.55 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 1.87 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' CYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 89.2 m -65.81 -40.52 91.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.646 -0.252 . . . . 0.57 111.495 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 88.6 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 1.43 110.55 178.346 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.933 -0.395 . . . . 1.07 109.933 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.631 ' HD2' HD21 ' A' ' 295' ' ' ASN . 11.2 ttp180 -75.11 84.31 2.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.324 0.583 . . . . 0.85 109.678 -176.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 142.9 29.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 1.41 111.257 -171.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.889 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.4 mtpp . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.948 -0.569 . . . . 1.4 110.6 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.873 -0.491 . . . . 8.25 111.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -84.9 135.73 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.049 -0.352 . . . . 6.65 110.049 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 92.9 mmm -81.63 71.84 8.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 6.91 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -80.33 84.04 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.516 -0.765 . . . . 3.66 109.902 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.2 166.65 21.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 5.37 111.59 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -126.93 142.58 51.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.21 -0.904 . . . . 3.84 108.852 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.736 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -129.16 135.21 48.56 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.664 -0.495 . . . . 1.99 109.664 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.0 136.57 48.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.749 -0.659 . . . . 1.11 110.531 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -87.16 0.93 54.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.215 -0.661 . . . . 0.49 109.215 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -125.44 138.08 54.0 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.543 -0.91 . . . . 2.53 108.543 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 33.5 t -66.05 138.7 57.95 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.261 -0.427 . . . . 0.21 111.293 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.502 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -66.36 -15.39 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 1.11 111.519 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.581 HG11 ' HB3' ' A' ' 322' ' ' CYS . 87.5 t -81.54 -61.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.353 -0.385 . . . . 1.06 111.566 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.84 6.98 10.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.447 0.536 . . . . 0.41 112.447 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.505 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 24.8 mmm180 54.26 34.66 20.93 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.271 0.628 . . . . 2.95 111.584 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.572 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 19.0 t0 -102.74 166.16 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.125 -0.695 . . . . 1.54 109.125 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.744 ' O ' ' HD2' ' B' ' 8' ' ' ARG . . . -109.17 -166.4 20.45 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.443 -0.884 . . . . 0.7 111.068 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 105.19 -125.74 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.57 112.696 176.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.18 88.47 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.322 0.582 . . . . 1.91 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.607 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 66.6 mt -104.11 147.74 27.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.361 -0.836 . . . . 1.08 111.564 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.6 tt -130.31 111.23 20.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.59 -0.893 . . . . 1.05 108.59 173.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.72 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -100.43 147.23 26.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 2.08 111.372 -171.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.659 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.4 t -74.94 151.6 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.847 -1.069 . . . . 0.2 111.5 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.704 ' HA ' HH21 ' B' ' 2' ' ' ARG . 22.3 t70 -60.76 -68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.144 -0.48 . . . . 0.66 111.065 175.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -79.79 -12.57 83.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.986 -0.626 . . . . 0.47 113.972 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 100.0 m -122.33 131.03 24.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 117.22 0.51 . . . . 1.34 110.754 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.83 -13.07 37.3 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.468 2.778 . . . . 0.88 113.857 -174.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -60.02 134.25 56.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.124 0.488 . . . . 1.74 111.598 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.92 147.43 39.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.264 -0.88 . . . . 1.05 108.641 171.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 300' ' ' ALA . 44.5 m-85 -129.69 164.64 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 121.054 -0.258 . . . . 0.26 111.008 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.572 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 37.9 m80 -89.34 146.12 24.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.413 -0.588 . . . . 0.21 109.413 170.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 78.6 mt -52.33 -55.71 19.72 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.462 0.476 . . . . 1.1 111.484 -174.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.45 -26.03 59.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 1.05 112.346 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.581 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.4 m -72.06 -24.07 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.693 0.283 . . . . 0.21 111.293 -177.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.33 159.18 27.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.284 0.564 . . . . 1.04 112.181 177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 40.6 t -139.74 108.2 7.09 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.338 -0.846 . . . . 1.36 109.415 173.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 13.5 Cg_exo -70.97 144.62 79.8 Favored 'Cis proline' 0 C--N 1.344 0.304 0 C-N-CA 123.747 -1.356 . . . . 0.92 112.599 0.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 8.0 Cg_exo -70.1 133.72 25.58 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.996 2.464 . . . . 0.74 112.551 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.653 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.0 mm? -79.66 131.4 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 1.76 109.342 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -100.5 -19.39 16.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.9 0.857 . . . . 3.65 108.904 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.71 151.2 36.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.383 -1.281 . . . . 1.57 109.55 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 331' ' ' PRO . 39.8 mm -74.56 129.16 84.39 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.239 -0.437 . . . . 1.08 111.65 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 330' ' ' ILE . 1.3 Cg_endo -82.26 136.51 8.95 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.756 2.971 . . . . 0.5 112.802 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.3 t -92.65 113.56 25.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.067 -0.515 . . . . 2.09 109.651 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.05 -167.29 25.73 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.699 -0.762 . . . . 0.68 111.64 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.5 p -84.9 102.66 13.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.049 0.452 . . . . 1.23 109.917 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.467 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.0 t90 -85.65 143.05 28.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.729 -0.668 . . . . 0.33 110.229 -176.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.659 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.9 mtt180 -125.87 138.0 53.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 2.37 110.637 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.3 p -68.04 171.84 6.36 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.379 -0.373 . . . . 0.63 110.626 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 15.4 m -57.64 -42.24 83.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.519 0.199 . . . . 1.9 111.453 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.1 t -58.01 -42.67 85.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 1.87 110.756 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 87.8 m -64.5 -42.39 95.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.57 111.365 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.64 -20.21 62.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.107 0.479 . . . . 1.43 110.682 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -91.91 -8.75 45.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 2.44 110.13 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -90.97 24.82 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.564 . . . . 1.57 111.651 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 12.6 p -68.21 67.97 0.12 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.157 0.503 . . . . 2.87 110.957 171.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.52 -32.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 5.91 112.039 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -77.58 179.32 6.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.648 0.261 . . . . 7.44 111.233 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -57.15 122.34 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 7.68 110.015 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.36 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.402 0.62 . . . . 9.32 110.762 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.85 84.9 0.2 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.027 -0.988 . . . . 10.92 111.631 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -67.43 109.65 1.86 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.553 2.169 . . . . 12.53 111.464 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 351' ' ' ARG . 5.6 tpm_? -99.81 35.24 2.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.29 0.567 . . . . 15.21 110.513 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -73.75 97.37 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.509 . . . . 15.81 110.28 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.87 -2.1 48.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.095 -0.502 . . . . 17.69 110.315 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.627 -0.701 . . . . 18.81 109.947 -176.78 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.898 -0.408 . . . . 1.07 109.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.72 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 40.9 ttm-85 -80.23 67.03 5.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.261 -0.644 . . . . 0.85 109.261 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -75.72 142.31 42.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.577 -0.738 . . . . 1.41 111.363 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.736 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.0 mtpp -131.06 150.69 52.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 1.4 109.328 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -129.93 76.42 1.72 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 3.51 109.988 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.486 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 21.4 p -89.64 -173.78 4.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.687 -0.688 . . . . 1.49 110.762 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.16 136.37 35.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.451 -0.341 . . . . 1.46 110.437 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.744 ' HD2' ' O ' ' A' ' 305' ' ' GLY . 21.3 mmm-85 -69.07 143.6 54.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 3.54 109.248 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -102.36 -39.32 7.23 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.558 -0.534 . . . . 3.91 109.558 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.295 -0.866 . . . . 4.73 111.371 178.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.812 -0.515 . . . . 8.25 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -125.05 113.97 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.167 -0.308 . . . . 6.65 110.167 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 19.5 ttm -147.7 80.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.697 0.761 . . . . 6.91 110.867 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -122.2 111.97 17.61 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.015 -0.993 . . . . 3.66 108.873 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.05 155.83 12.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.398 . . . . 5.37 110.42 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -125.14 152.99 43.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.854 -0.424 . . . . 3.84 109.854 -172.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.695 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 3.7 p30 -126.86 136.0 51.75 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.763 -0.458 . . . . 1.99 109.763 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 148.87 51.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.968 0.413 . . . . 1.11 110.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -92.24 1.9 56.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.751 -0.833 . . . . 0.49 108.751 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 134.21 52.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.294 -0.866 . . . . 2.53 108.764 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 38.4 t -66.42 138.4 57.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.173 -0.467 . . . . 0.21 110.633 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.506 ' HA ' HH11 ' A' ' 303' ' ' ARG . . . -65.24 -16.47 63.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 1.11 111.348 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 322' ' ' CYS . 86.7 t -82.23 -63.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.962 -0.563 . . . . 1.06 111.527 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.69 3.97 13.99 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.128 0.418 . . . . 0.41 112.128 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.506 HH11 ' HA ' ' A' ' 300' ' ' ALA . 29.5 mmm180 56.7 32.69 21.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.372 0.669 . . . . 2.95 111.8 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.442 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.7 t70 -105.81 -179.88 4.07 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.216 -0.661 . . . . 1.54 109.216 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -124.63 -179.25 15.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.657 . . . . 0.7 112.02 -175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.68 -126.28 6.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.624 -0.798 . . . . 0.57 112.186 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -75.96 88.24 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.864 0.364 . . . . 1.91 110.263 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.576 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 91.6 mt -102.16 145.76 28.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.475 0.655 . . . . 1.08 112.128 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.6 tt -128.49 115.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.019 -0.992 . . . . 1.05 109.469 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.814 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -102.03 147.11 26.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.271 0.558 . . . . 2.08 111.07 -173.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.617 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 53.2 t -75.24 154.83 37.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.066 -0.97 . . . . 0.2 111.3 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.445 ' HA ' HH21 ' B' ' 2' ' ' ARG . 21.2 t70 -60.58 -69.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.746 0.276 . . . . 0.66 111.746 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -84.89 1.92 88.56 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.907 -0.663 . . . . 0.47 113.722 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 71.5 m -131.94 127.83 21.3 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.469 . . . . 1.34 110.742 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.83 -10.82 28.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.17 2.58 . . . . 0.88 113.482 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 316' ' ' ARG . 63.5 mtt85 -60.48 130.25 45.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.82 0.343 . . . . 1.74 111.073 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.576 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.7 154.38 23.94 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.811 -0.811 . . . . 1.05 108.811 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.538 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.8 m-85 -133.48 166.15 23.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.775 0.322 . . . . 0.26 111.166 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -96.53 146.43 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.804 -0.813 . . . . 0.21 108.804 169.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.467 HD22 HD12 ' A' ' 330' ' ' ILE . 78.1 mt -56.91 -51.38 69.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.757 0.28 . . . . 1.1 111.757 -173.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.84 -19.8 60.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.379 . . . . 1.05 111.817 -176.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.579 ' HB3' HG12 ' A' ' 301' ' ' VAL . 72.9 m -79.19 -19.36 51.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 0.21 111.001 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.72 156.27 39.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.09 0.471 . . . . 1.04 111.038 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 31.9 t -139.64 108.79 7.21 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 1.36 109.414 176.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.441 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 9.1 Cg_exo -73.91 144.27 80.47 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.961 -1.266 . . . . 0.92 112.702 0.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.489 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 8.2 Cg_exo -70.04 133.34 24.82 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.368 2.712 . . . . 0.74 112.519 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.95 129.76 34.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 1.76 110.668 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . 0.862 ' HG2' ' HG3' ' A' ' 329' ' ' GLU . 0.0 OUTLIER -82.21 -25.99 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 3.65 110.828 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . 0.862 ' HG3' ' HG2' ' A' ' 328' ' ' ARG . 0.0 OUTLIER -144.71 157.58 44.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 1.57 110.374 177.096 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.467 HD12 HD22 ' A' ' 320' ' ' LEU . 23.5 mm -75.4 122.04 86.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.563 -0.744 . . . . 1.08 112.411 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -60.2 138.47 81.63 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.06 2.506 . . . . 0.5 112.314 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.5 m -94.07 53.86 1.83 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.41 0.624 . . . . 2.09 110.816 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.25 -168.17 35.41 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.536 -0.756 . . . . 0.68 111.497 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.0 p -66.07 113.17 4.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.929 0.395 . . . . 1.23 110.552 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.411 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 82.9 t90 -90.62 148.12 22.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.33 109.689 -178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.617 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 54.9 mtt180 -130.26 129.53 43.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.479 -0.328 . . . . 2.37 110.662 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.9 p -72.97 172.61 10.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.222 -0.445 . . . . 0.63 110.692 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.9 m -51.82 -42.71 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.36 . . . . 1.9 111.043 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.7 m -55.17 -43.42 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.674 -0.694 . . . . 1.87 111.301 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.9 m -65.96 -42.56 89.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.57 111.104 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -36.64 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 1.43 110.852 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -75.49 -14.17 60.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.1 -0.5 . . . . 2.44 110.867 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -92.88 7.32 44.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 1.57 111.481 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 7.9 p -120.92 42.84 2.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.186 0.517 . . . . 2.87 111.003 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.85 -26.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.872 -0.604 . . . . 5.91 110.403 -178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.95 141.79 57.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.553 -0.748 . . . . 7.44 110.83 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -61.67 124.16 19.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.171 -0.468 . . . . 7.68 110.564 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 26.0 t -89.87 -18.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.24 1.019 . . . . 9.32 109.163 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -88.78 118.61 69.49 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-N 114.038 -1.437 . . . . 10.92 109.915 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 171.2 18.72 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.711 2.274 . . . . 12.53 111.563 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . 0.602 HH21 ' HA ' ' A' ' 354' ' ' GLU . 11.5 mmm180 -93.23 117.97 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 15.21 110.796 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -114.36 104.15 11.78 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.26 -1.015 . . . . 15.81 108.26 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 67.34 92.1 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.975 0.797 . . . . 17.69 109.992 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . 0.602 ' HA ' HH21 ' A' ' 351' ' ' ARG . 42.3 mt-10 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.756 -0.657 . . . . 18.81 110.436 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.96 -0.385 . . . . 1.07 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.814 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.9 ttm-85 -82.12 72.32 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.136 0.493 . . . . 0.85 109.89 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -77.58 150.53 34.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.656 0.613 . . . . 1.41 112.656 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.622 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 51.1 mtpt -139.5 158.25 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 1.4 109.428 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -133.29 78.2 1.77 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.742 -0.836 . . . . 3.51 108.742 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 52.8 p -92.86 173.91 7.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.502 -0.772 . . . . 1.49 111.124 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.61 132.54 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 1.46 109.526 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.263 -0.426 . . . . 3.54 110.401 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 32.6 mmtp -100.47 15.85 26.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.115 -0.493 . . . . 3.91 110.426 -173.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.251 1.178 0 CA-C-N 115.877 -0.601 . . . . 4.73 109.727 176.207 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 111.784 -0.527 . . . . 8.25 111.784 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -115.62 97.14 5.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.891 0.377 . . . . 6.65 111.023 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -143.37 13.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 6.91 110.324 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -145.76 63.55 1.25 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.772 -0.649 . . . . 3.66 111.33 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -98.83 143.28 29.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.882 0.373 . . . . 5.37 110.5 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 315' ' ' PRO . 27.4 tptp -138.28 143.16 39.89 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.732 -0.84 . . . . 3.84 108.732 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.742 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.5 p30 -101.96 135.42 43.56 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 120.854 0.359 . . . . 1.99 110.278 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -72.53 139.12 47.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.848 -0.615 . . . . 1.11 109.831 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.656 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 20.4 m-20 -89.84 11.92 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.337 -0.392 . . . . 0.49 111.649 -171.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.13 135.13 30.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.572 0.701 . . . . 2.53 110.166 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.613 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 43.2 t -59.84 137.43 58.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.759 -1.109 . . . . 0.21 111.995 -174.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.553 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -67.33 -11.61 58.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.893 -0.594 . . . . 1.11 111.233 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -82.07 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.026 -0.534 . . . . 1.06 111.282 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.93 4.28 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.043 0.386 . . . . 0.41 112.043 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 27.8 mmt180 57.98 31.04 20.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 2.95 111.886 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.496 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.6 t70 -99.72 174.03 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.303 -0.999 . . . . 1.54 108.303 175.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.456 ' C ' ' HA ' ' B' ' 8' ' ' ARG . . . -123.83 -179.74 15.86 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.394 -0.908 . . . . 0.7 111.98 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.85 -132.7 8.51 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.667 -0.778 . . . . 0.57 112.13 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.99 78.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.239 0.542 . . . . 1.91 110.251 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.668 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 20.8 mt -89.83 150.21 22.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.321 -0.854 . . . . 1.08 111.342 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.1 tt -126.52 117.25 47.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.648 -0.871 . . . . 1.05 108.648 172.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.8 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 52.3 t -104.07 146.93 28.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.274 0.559 . . . . 2.08 110.847 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.767 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.8 t -74.68 151.4 39.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.122 -0.944 . . . . 0.2 111.051 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.407 ' HA ' HH21 ' B' ' 2' ' ' ARG . 30.0 t70 -60.76 -67.0 0.44 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.974 -0.557 . . . . 0.66 111.047 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.79 -10.03 84.96 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 114.857 0.703 . . . . 0.47 114.857 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.6 p -136.58 133.68 19.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.882 0.841 . . . . 1.34 110.565 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.589 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 25.9 Cg_exo -62.49 -5.78 7.56 Favored 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 123.703 2.935 . . . . 0.88 114.208 -174.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -64.74 132.87 50.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.066 0.46 . . . . 1.74 111.565 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.668 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -112.28 153.41 27.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 1.05 108.974 173.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.613 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.5 m-85 -135.1 166.77 22.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.65 0.262 . . . . 0.26 110.532 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.5 m80 -96.08 147.9 23.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.258 -0.645 . . . . 0.21 109.258 171.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 85.5 mt -55.44 -51.99 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.218 0.324 . . . . 1.1 111.402 -173.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.26 53.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.174 0.435 . . . . 1.05 112.174 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.655 ' HB3' HG12 ' A' ' 301' ' ' VAL . 72.9 m -75.05 -25.4 58.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.21 111.335 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.0 157.71 36.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.317 0.58 . . . . 1.04 111.815 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.2 t -139.45 111.83 7.75 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 108.608 -0.886 . . . . 1.36 108.608 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.3 Cg_endo -73.87 141.55 72.09 Favored 'Cis proline' 0 C--O 1.233 0.272 0 C-N-CA 123.365 -1.514 . . . . 0.92 112.213 2.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 2.9 Cg_exo -72.01 138.09 30.4 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.891 2.394 . . . . 0.74 111.91 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.576 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -90.08 127.36 36.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.174 -0.466 . . . . 1.76 110.358 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -84.56 -23.19 29.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 3.65 110.122 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -141.25 157.25 45.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.064 -0.971 . . . . 1.57 109.665 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 330' ' ' ILE . 28.8 mm -78.68 121.77 83.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.394 . . . . 1.08 111.378 -179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.528 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.9 Cg_endo -64.68 138.77 60.31 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.968 2.445 . . . . 0.5 112.618 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 46.2 m -96.32 52.07 1.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.974 -0.557 . . . . 2.09 110.647 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.22 -165.84 30.73 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.559 -0.829 . . . . 0.68 112.381 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -67.83 108.7 3.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 1.23 111.081 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.521 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.1 t90 -95.96 146.0 24.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.768 -0.651 . . . . 0.33 110.177 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.767 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.1 mtt180 -132.54 137.38 47.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 2.37 110.735 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.83 172.61 9.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.778 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.0 m -54.46 -45.38 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.633 0.254 . . . . 1.9 111.113 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.8 m -55.86 -43.0 76.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 1.87 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 97.6 m -65.73 -42.5 90.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.57 111.384 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.82 -33.28 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 1.43 110.618 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -85.99 9.16 17.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.576 . . . . 2.44 110.35 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -92.3 6.4 46.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 1.57 110.218 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 7.4 p -143.09 45.56 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.607 -0.724 . . . . 2.87 110.55 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.48 -47.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.99 -0.55 . . . . 5.91 109.814 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 60.67 80.34 0.22 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.744 -0.662 . . . . 7.44 111.267 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.328 0.585 . . . . 7.68 110.581 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 11.5 t -107.28 65.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.751 0.786 . . . . 9.32 109.515 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -130.95 106.36 15.17 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 115.206 -0.906 . . . . 10.92 110.371 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.98 117.21 3.93 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.42 2.08 . . . . 12.53 110.825 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -124.27 94.68 4.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.166 0.508 . . . . 15.21 111.602 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -120.85 167.65 12.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.779 -1.193 . . . . 15.81 107.779 165.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -100.94 24.56 9.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.326 0.584 . . . . 17.69 110.269 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.046 -0.979 . . . . 18.81 109.941 179.276 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.528 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.808 -0.441 . . . . 1.07 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.8 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 48.3 ttm-85 -83.35 64.96 8.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.388 0.613 . . . . 0.85 109.641 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.25 151.4 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.408 -0.815 . . . . 1.41 111.504 -174.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.742 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.7 mtpp -136.13 138.09 41.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 1.4 110.184 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.64 -57.42 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.123 -0.695 . . . . 3.51 109.123 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.402 HG21 ' H ' ' B' ' 7' ' ' ALA . 0.2 OUTLIER 52.09 -160.63 0.1 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.948 -0.569 . . . . 1.49 112.279 170.253 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.402 ' H ' HG21 ' B' ' 6' ' ' THR . . . -129.49 141.8 50.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 1.46 109.387 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.456 ' HA ' ' C ' ' A' ' 305' ' ' GLY . 99.5 mtt180 -73.58 154.84 39.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.361 0.413 . . . . 3.54 110.833 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -109.42 9.94 25.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.133 0.492 . . . . 3.91 110.096 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.526 -0.761 . . . . 4.73 109.688 175.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.832 -0.507 . . . . 8.25 111.832 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . 0.738 ' HB1' ' HB2' ' A' ' 293' ' ' GLN . . . -73.71 93.7 2.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.867 0.365 . . . . 6.65 110.588 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 23.0 ptp -92.56 -7.59 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.227 0.537 . . . . 6.91 110.914 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -127.46 -4.6 6.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.214 -0.903 . . . . 3.66 110.903 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . 0.738 ' HB2' ' HB1' ' A' ' 290' ' ' ALA . 41.4 mt-30 -116.98 151.33 36.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.752 -0.658 . . . . 5.37 109.913 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -139.91 150.4 44.52 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.459 -0.571 . . . . 3.84 109.459 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.717 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.3 OUTLIER -138.82 134.55 33.52 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.76 -0.459 . . . . 1.99 109.76 178.361 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -69.41 144.46 53.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.176 -0.466 . . . . 1.11 110.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -91.17 0.67 57.48 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.923 0.392 . . . . 0.49 110.75 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.85 139.53 41.75 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.7 -0.682 . . . . 2.53 110.094 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.639 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 35.3 t -63.14 137.8 58.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.864 -1.062 . . . . 0.21 111.168 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.502 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -65.35 -19.59 66.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 1.11 111.324 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.613 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -75.0 -63.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.474 . . . . 1.06 111.251 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 19.1 p -116.78 3.72 12.97 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.384 0.513 . . . . 0.41 112.384 -171.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.471 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 32.7 mmt180 55.96 36.62 27.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.87 -0.605 . . . . 2.95 112.005 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.446 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.5 t0 -112.77 170.9 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.69 -0.856 . . . . 1.54 108.69 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' B' ' 8' ' ' ARG . . . -112.38 -166.77 17.4 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.85 -0.69 . . . . 0.7 111.698 -176.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.58 -122.13 6.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.42 -0.895 . . . . 0.57 112.719 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -74.45 86.91 2.05 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.845 0.38 . . . . 1.91 110.457 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -101.03 141.08 34.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.53 0.681 . . . . 1.08 112.584 -174.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . 0.633 HG13 ' HB3' ' B' ' 1' ' ' ALA . 2.9 tt -127.85 112.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.779 -1.1 . . . . 1.05 108.748 171.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.704 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 2.5 m -100.78 148.2 25.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 2.08 110.886 -174.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 314' ' ' CYS . 53.4 t -72.09 148.19 46.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.221 -0.899 . . . . 0.2 110.131 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.447 ' HA ' HH21 ' B' ' 2' ' ' ARG . 18.0 t70 -62.01 -67.49 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.798 -0.361 . . . . 0.66 110.678 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -68.3 -20.05 72.96 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.101 -0.5 . . . . 0.47 113.918 -173.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 311' ' ' CYS . 73.8 m -126.79 131.6 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 117.3 0.55 . . . . 1.34 110.516 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 -8.11 19.73 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.098 2.532 . . . . 0.88 113.797 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 300' ' ' ALA . 77.1 mtt180 -61.02 130.46 46.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.25 0.548 . . . . 1.74 111.33 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.662 ' HB1' ' SG ' ' A' ' 310' ' ' CYS . . . -110.89 153.76 25.0 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.257 -0.883 . . . . 1.05 108.95 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.639 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 45.6 m-85 -137.4 171.33 14.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.8 0.333 . . . . 0.26 111.233 -176.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.8 m80 -100.33 150.62 22.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.003 -0.74 . . . . 0.21 109.003 170.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.552 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.9 mt -57.27 -55.8 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.67 0.271 . . . . 1.1 111.145 -175.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.14 -25.11 61.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.542 . . . . 1.05 112.294 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.613 ' HB3' HG11 ' A' ' 301' ' ' VAL . 93.7 m -73.6 -24.12 60.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.445 -0.343 . . . . 0.21 111.423 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.503 HD13 HD22 ' A' ' 327' ' ' LEU . 38.7 mt -67.69 158.38 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.227 0.537 . . . . 1.04 111.719 176.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 4.4 p -137.32 109.75 8.91 Favored Pre-proline 0 N--CA 1.435 -1.206 0 CA-C-N 115.506 -0.77 . . . . 1.36 110.506 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 15.4 Cg_exo -70.09 146.81 83.9 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.137 -1.193 . . . . 0.92 112.225 -2.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.477 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 7.5 Cg_exo -69.53 145.92 59.99 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.956 2.437 . . . . 0.74 112.214 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.4 mm? -92.35 136.07 33.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.007 -0.542 . . . . 1.76 109.897 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 328' ' ' ARG . 1.3 ptm180 -99.94 -18.16 17.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.348 0.594 . . . . 3.65 110.422 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.01 149.0 33.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.254 -0.884 . . . . 1.57 109.912 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.9 122.06 84.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 1.08 111.24 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.97 139.44 41.52 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.791 2.994 . . . . 0.5 112.972 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 m -90.18 29.94 1.17 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.563 -0.744 . . . . 2.09 111.23 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.2 -158.77 18.39 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.921 -0.657 . . . . 0.68 112.071 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.1 p -68.26 113.46 5.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 1.23 110.977 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.408 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.7 t90 -90.07 144.57 25.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.33 110.24 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.441 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 58.4 mtt85 -116.94 133.56 55.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 2.37 111.108 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.23 179.53 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.63 110.188 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 14.7 m -53.26 -45.77 68.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.953 0.353 . . . . 1.9 111.953 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 32.3 t -56.74 -47.09 80.81 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.863 0.363 . . . . 1.87 111.157 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.441 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.7 m -66.26 -41.55 89.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.441 -0.345 . . . . 0.57 110.843 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.8 -31.43 72.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 1.43 110.868 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -67.73 -26.14 66.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 2.44 110.587 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -83.79 42.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.482 . . . . 1.57 110.591 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.09 72.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.591 -0.731 . . . . 2.87 111.828 176.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.98 -39.32 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.304 -0.628 . . . . 5.91 109.304 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.83 139.23 46.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.236 -0.893 . . . . 7.44 109.809 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -117.07 34.07 5.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.483 0.659 . . . . 7.68 110.375 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.74 78.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-O 122.05 0.928 . . . . 9.32 110.082 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -83.51 110.61 25.66 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.176 -0.92 . . . . 10.92 108.906 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.57 151.53 53.82 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.1 2.533 . . . . 12.53 112.961 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.02 24.94 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.757 -0.656 . . . . 15.21 110.926 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -76.21 76.05 3.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.226 -0.657 . . . . 15.81 109.226 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.55 139.22 30.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.659 -0.7 . . . . 17.69 111.107 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.579 -0.737 . . . . 18.81 109.631 178.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.633 ' HB3' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.237 -0.282 . . . . 1.07 110.237 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.704 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 45.9 ttm-85 -80.81 75.04 7.75 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.392 -0.595 . . . . 0.85 109.392 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -71.9 149.68 44.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.942 0.401 . . . . 1.41 111.791 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.818 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 51.1 mtpt -137.6 156.18 48.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.91 -0.586 . . . . 1.4 110.429 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -129.09 86.04 2.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.643 -0.708 . . . . 3.51 109.168 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 52.1 p -107.0 171.5 7.34 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.13 -0.486 . . . . 1.49 110.763 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.41 134.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.157 -0.474 . . . . 1.46 110.494 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 305' ' ' GLY . 24.0 mmt180 -62.81 141.59 58.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.714 -0.676 . . . . 3.54 110.427 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -96.81 -77.68 0.48 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.561 -0.745 . . . . 3.91 110.543 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.282 -0.866 . . . . 4.73 110.896 -177.43 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.145 -0.382 . . . . 8.25 112.145 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 71.82 -63.19 0.43 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.72 0.808 . . . . 6.65 112.149 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.44 109.67 6.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.026 -0.534 . . . . 6.91 111.257 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 60.53 17.05 6.98 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.605 0.565 . . . . 3.66 111.829 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -161.1 105.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 5.37 109.795 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.64 153.19 48.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.149 -0.478 . . . . 3.84 109.934 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.717 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.2 p30 -126.47 136.4 52.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 1.99 110.114 175.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 41.3 mt-10 -71.79 136.65 47.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 1.11 109.959 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.496 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 1.9 m-20 -87.9 11.98 14.34 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.92 -0.77 . . . . 0.49 108.92 174.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -131.92 131.47 42.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.183 -0.917 . . . . 2.53 108.622 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.543 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 40.7 t -63.73 137.54 58.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.393 -0.367 . . . . 0.21 110.942 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.596 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -68.82 -19.34 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 1.11 111.01 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.655 HG13 ' HB3' ' A' ' 322' ' ' CYS . 70.1 t -76.43 -62.29 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 1.06 111.671 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -126.35 10.4 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.353 0.501 . . . . 0.41 112.353 -174.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 299' ' ' CYS . 33.9 mmt180 56.98 34.22 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 2.95 112.374 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 -175.68 3.16 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.138 -0.69 . . . . 1.54 109.138 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -132.29 -175.53 14.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.532 -0.842 . . . . 0.7 111.843 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.551 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 119.02 -127.11 7.08 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.56 -0.828 . . . . 0.57 112.435 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.67 84.49 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.148 0.499 . . . . 1.91 110.379 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 77.3 mt -95.19 144.99 25.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.571 -0.74 . . . . 1.08 112.3 -174.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . 0.561 HG13 ' HB3' ' B' ' 1' ' ' ALA . 5.9 tt -124.23 105.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.06 -0.973 . . . . 1.05 109.171 173.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.694 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.5 m -92.72 147.85 22.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 2.08 110.726 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.773 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 34.6 t -74.56 152.51 39.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.6 -0.727 . . . . 0.2 110.783 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.582 ' HA ' HH21 ' B' ' 2' ' ' ARG . 28.1 t70 -60.79 -68.12 0.34 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.66 110.975 175.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -74.01 -10.39 80.88 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.664 0.626 . . . . 0.47 114.664 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.566 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.7 p -136.41 134.1 19.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 117.757 0.778 . . . . 1.34 110.148 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.9 -9.24 13.66 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 123.53 2.82 . . . . 0.88 114.108 -172.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.402 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 58.8 mtt180 -60.14 131.18 50.03 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.978 0.418 . . . . 1.74 111.624 -177.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.688 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.16 151.11 28.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 1.05 109.009 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' A' ' 300' ' ' ALA . 49.5 m-85 -135.59 169.52 17.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.808 0.337 . . . . 0.26 110.922 -176.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.553 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 54.0 m80 -100.38 145.83 27.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.77 -0.826 . . . . 0.21 108.77 169.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.417 HD22 ' HB2' ' A' ' 327' ' ' LEU . 81.3 mt -55.78 -51.91 65.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 1.1 111.473 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.24 -15.17 60.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 1.05 111.765 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.655 ' HB3' HG13 ' A' ' 301' ' ' VAL . 74.6 m -82.84 -20.0 36.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.21 110.801 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 61.4 mt -75.71 154.66 36.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 1.04 111.386 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.0 t -139.99 110.08 7.14 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.782 -0.645 . . . . 1.36 109.512 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.431 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 10.6 Cg_exo -71.93 146.86 87.02 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 123.601 -1.416 . . . . 0.92 112.441 0.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.1 Cg_exo -74.98 139.01 23.84 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.81 2.34 . . . . 0.74 112.463 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.417 ' HB2' HD22 ' A' ' 320' ' ' LEU . 4.0 mm? -86.76 127.55 34.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 1.76 109.798 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -78.1 -26.63 48.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 3.65 110.585 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.05 161.48 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 1.57 110.316 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.402 HG21 ' HB1' ' B' ' 1' ' ' ALA . 34.2 mm -76.69 119.15 76.18 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 1.08 111.363 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.54 135.49 39.32 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.682 2.254 . . . . 0.5 112.102 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.7 t -94.03 57.52 2.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.487 0.66 . . . . 2.09 110.489 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -171.62 -170.47 35.68 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.934 -0.866 . . . . 0.68 110.934 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -65.42 114.37 4.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.147 0.499 . . . . 1.23 110.597 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.554 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 86.5 t90 -101.01 146.46 27.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.967 -0.56 . . . . 0.33 110.274 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.773 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 59.2 mtt180 -127.74 139.59 52.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 2.37 110.849 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -72.86 174.33 7.9 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.106 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 38.4 t -56.14 -44.95 79.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.775 0.321 . . . . 1.9 110.676 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.7 m -55.22 -45.98 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.87 111.138 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 81.4 m -66.71 -43.11 85.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.57 111.847 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.14 -32.2 73.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.442 0.639 . . . . 1.43 110.759 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -88.59 -3.93 58.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.364 -0.835 . . . . 2.44 110.531 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.12 -1.68 58.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.115 0.483 . . . . 1.57 110.508 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.2 p -131.54 90.84 2.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.668 -0.696 . . . . 2.87 109.448 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 48.6 t -94.99 -38.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 5.91 110.965 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -82.93 -80.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 7.44 111.179 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.608 ' HG2' ' H ' ' A' ' 349' ' ' GLN . 41.6 tt0 -144.99 138.96 27.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.025 -0.361 . . . . 7.68 110.025 -177.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 8.3 p -97.26 11.95 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.891 0.853 . . . . 9.32 110.912 -177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.608 ' H ' ' HG2' ' A' ' 347' ' ' GLU . 76.4 mm-40 -124.14 119.72 26.43 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.705 . . . . 10.92 110.419 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.97 119.44 6.46 Favored 'Trans proline' 0 C--N 1.335 -0.17 0 C-N-CA 123.081 2.52 . . . . 12.53 111.868 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -73.81 127.27 32.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.7 -0.482 . . . . 15.21 109.7 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.13 76.05 1.43 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 15.81 110.319 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 70.19 177.66 0.26 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 17.69 111.224 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.728 -0.653 . . . . 18.81 109.74 -176.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.561 ' HB3' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.698 -0.482 . . . . 1.07 109.698 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -77.28 84.96 3.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.019 -0.537 . . . . 0.85 110.524 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -87.14 139.26 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.732 0.641 . . . . 1.41 112.732 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 27.2 mtpp -126.52 133.05 51.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.269 -0.878 . . . . 1.4 109.327 176.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -107.95 78.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.459 0.647 . . . . 3.51 110.335 175.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.522 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 22.8 p -97.36 177.76 5.44 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.37 -0.832 . . . . 1.49 110.421 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.07 135.06 35.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.836 -0.431 . . . . 1.46 109.836 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.551 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 35.5 mtm180 -68.51 146.95 52.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.98 0.419 . . . . 3.54 110.645 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -90.77 -9.96 44.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.006 -0.543 . . . . 3.91 110.364 -176.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.542 -0.742 . . . . 4.73 110.398 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 112.138 -0.385 . . . . 8.25 112.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -108.74 87.48 2.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.784 0.292 . . . . 6.65 111.785 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.4 tpt 51.57 72.92 0.34 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.642 0.589 . . . . 6.91 112.083 173.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -117.7 12.31 13.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.284 -0.416 . . . . 3.66 110.9 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 293' ' ' GLN . 14.9 mm-40 -99.64 157.54 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 5.37 110.548 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -143.21 152.55 41.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.004 -0.544 . . . . 3.84 109.642 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.843 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.3 p30 -122.53 137.38 54.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.483 -0.326 . . . . 1.99 110.4 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.43 134.15 47.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.829 -0.434 . . . . 1.11 109.829 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.698 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 5.9 m-20 -86.85 9.9 17.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.463 -0.569 . . . . 0.49 109.463 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -127.68 135.26 49.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.409 -0.96 . . . . 2.53 108.409 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.594 ' O ' ' HD2' ' A' ' 303' ' ' ARG . 42.8 t -66.98 138.12 57.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.89 0.376 . . . . 0.21 110.839 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 318' ' ' PHE . . . -68.73 -15.8 63.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.331 . . . . 1.11 111.386 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.619 HG12 ' HB3' ' A' ' 322' ' ' CYS . 74.0 t -79.02 -62.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.475 . . . . 1.06 111.414 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -119.03 5.18 11.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.982 0.42 . . . . 0.41 112.018 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.594 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 28.2 mmm180 54.92 35.93 25.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.542 -0.754 . . . . 2.95 111.38 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.45 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.4 t70 -102.43 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.631 -0.878 . . . . 1.54 108.631 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.54 -175.91 15.13 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.552 -0.833 . . . . 0.7 111.876 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 121.84 -128.6 7.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.731 -0.747 . . . . 0.57 112.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.87 92.1 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.098 0.475 . . . . 1.91 110.266 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.848 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.3 mt -104.0 146.7 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 1.08 111.806 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 4.4 tt -125.78 114.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.275 -0.875 . . . . 1.05 109.187 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 40.8 t -100.46 142.57 31.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.395 0.617 . . . . 2.08 111.682 -172.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.2 t -74.44 141.29 45.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.93 -1.032 . . . . 0.2 110.085 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.11 -64.56 0.91 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.992 0.425 . . . . 0.66 110.911 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -63.39 -21.3 64.3 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.974 -0.557 . . . . 0.47 114.307 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 81.8 m -135.87 131.98 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 117.632 0.716 . . . . 1.34 110.899 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 27.2 Cg_exo -60.52 -14.69 31.99 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.628 2.885 . . . . 0.88 114.2 -172.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -58.14 132.95 55.06 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.001 0.429 . . . . 1.74 111.43 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -113.06 152.33 29.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 1.05 109.15 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.586 ' CE2' ' HB1' ' A' ' 300' ' ' ALA . 38.9 m-85 -132.54 162.22 31.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.615 0.245 . . . . 0.26 110.753 -175.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.566 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.6 m80 -93.49 146.13 24.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 0.21 109.077 170.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.563 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 92.1 mt -56.67 -54.38 46.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.747 0.308 . . . . 1.1 111.211 -173.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.11 -17.31 60.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.529 . . . . 1.05 112.122 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.619 ' HB3' HG12 ' A' ' 301' ' ' VAL . 80.4 m -79.53 -21.15 45.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.886 0.374 . . . . 0.21 111.026 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.84 154.71 38.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 1.04 111.715 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.9 t -139.88 107.45 6.94 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.171 -0.922 . . . . 1.36 108.762 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 87.4 Cg_endo -76.61 143.58 76.46 Favored 'Cis proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.508 -1.455 . . . . 0.92 112.735 5.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.4 Cg_exo -75.18 144.04 29.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.841 2.361 . . . . 0.74 112.178 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.563 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -95.82 132.66 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 1.76 109.958 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.164 0.507 . . . . 3.65 109.933 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.58 160.23 39.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.576 -0.738 . . . . 1.57 109.893 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 330' ' ' ILE . 29.5 mm -80.49 121.87 81.88 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.992 -0.549 . . . . 1.08 111.768 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.539 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 9.6 Cg_endo -57.79 139.38 90.13 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.463 2.775 . . . . 0.5 112.767 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 p -89.43 38.43 0.9 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.511 -0.768 . . . . 2.09 111.395 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -166.4 -170.92 31.93 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.489 -0.644 . . . . 0.68 111.489 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 36.9 p -66.15 112.0 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.819 0.343 . . . . 1.23 110.368 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.461 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 82.9 t90 -84.92 145.74 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.33 110.102 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.516 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 93.8 mtt180 -119.7 132.3 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 2.37 110.647 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.15 177.27 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.029 -0.532 . . . . 0.63 110.304 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.9 m -53.2 -43.94 67.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.682 -0.235 . . . . 1.9 111.279 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 42.4 t -55.97 -51.44 67.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 1.87 111.011 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.447 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.4 m -60.85 -42.44 97.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.57 111.098 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 1.43 110.611 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -72.51 -27.22 62.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.888 -0.597 . . . . 2.44 111.837 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.81 2.1 55.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.82 0.343 . . . . 1.57 111.545 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.3 p -121.98 43.56 2.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.353 0.596 . . . . 2.87 110.779 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . 0.415 ' O ' ' HB2' ' A' ' 346' ' ' GLN . 57.5 t -91.12 -68.28 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.747 -0.66 . . . . 5.91 110.347 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.415 ' HB2' ' O ' ' A' ' 345' ' ' VAL . 14.5 mm100 69.23 130.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.771 0.669 . . . . 7.44 111.711 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.39 141.01 50.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 7.68 111.376 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . 0.443 ' O ' ' HB2' ' A' ' 349' ' ' GLN . 11.7 p -121.9 36.77 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 9.32 109.347 176.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 348' ' ' VAL . 29.1 mm-40 71.13 153.46 0.15 Allowed Pre-proline 0 N--CA 1.467 0.407 0 CA-C-N 114.679 -1.146 . . . . 10.92 111.378 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.3 70.01 1.9 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.104 2.536 . . . . 12.53 113.229 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 351' ' ' ARG . 38.5 mmt180 -135.54 -78.68 0.43 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.356 -0.609 . . . . 15.21 109.356 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . 0.451 ' C ' ' H ' ' A' ' 354' ' ' GLU . . . 49.47 80.67 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.008 0.818 . . . . 15.81 112.736 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.02 26.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 17.69 111.211 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' A' ' 352' ' ' ALA . 42.3 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.905 -1.045 . . . . 18.81 110.723 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.226 -0.287 . . . . 1.07 110.226 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' B' ' 2' ' ' ARG . 16.1 ttp180 -82.12 80.47 8.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.462 0.649 . . . . 0.85 110.098 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.24 151.24 39.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.68 -0.691 . . . . 1.41 112.036 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.848 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp -134.69 131.66 37.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 1.4 110.224 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -106.11 84.5 2.05 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.198 -0.667 . . . . 3.51 109.198 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.401 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 23.6 p -107.64 178.65 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.722 -0.672 . . . . 1.49 111.02 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.84 132.86 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 1.46 110.106 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -66.02 155.33 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 3.54 111.196 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -103.38 8.59 38.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.299 0.571 . . . . 3.91 109.824 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.013 -0.994 . . . . 4.73 110.807 179.313 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.117 -0.393 . . . . 8.25 112.117 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 63.81 29.95 14.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.198 0.523 . . . . 6.65 111.238 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 12.6 tpt -139.51 148.15 42.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 6.91 109.871 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 59.83 39.77 20.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.417 0.627 . . . . 3.66 110.343 -177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -75.09 162.81 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.261 -0.881 . . . . 5.37 110.356 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -123.17 153.14 40.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.165 -1.05 . . . . 3.84 108.165 177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.722 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.3 OUTLIER -122.39 137.15 54.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.897 0.379 . . . . 1.99 111.229 -178.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.7 139.72 53.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 1.11 110.157 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -89.73 13.01 15.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.07 -0.715 . . . . 0.49 109.07 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.479 ' OE2' ' HE3' ' B' ' 9' ' ' LYS . 0.6 OUTLIER -128.81 138.46 52.08 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.53 108.491 -178.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.519 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 42.9 t -71.64 138.2 48.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.002 0.43 . . . . 0.21 111.188 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 318' ' ' PHE . . . -69.64 -13.08 62.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 1.11 111.38 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 322' ' ' CYS . 78.1 t -83.54 -59.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.957 -0.565 . . . . 1.06 111.448 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.91 8.5 8.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.386 0.513 . . . . 0.41 112.386 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 26.0 mmm180 57.0 30.64 18.5 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.026 -0.534 . . . . 2.95 111.668 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.628 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.9 t70 -101.65 174.39 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.212 -0.662 . . . . 1.54 109.212 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.65 -174.36 14.72 Favored Glycine 0 C--N 1.318 -0.419 0 C-N-CA 120.897 -0.668 . . . . 0.7 111.906 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 116.48 -119.78 4.63 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.314 -0.946 . . . . 0.57 112.364 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.95 87.22 6.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 1.91 110.376 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.631 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 83.8 mt -102.3 149.79 23.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.678 -0.692 . . . . 1.08 111.803 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.0 tt -132.48 118.15 34.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.257 -0.883 . . . . 1.05 109.266 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.856 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 48.9 t -103.09 147.48 26.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.465 0.65 . . . . 2.08 111.251 -174.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 50.5 t -74.79 153.14 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.97 -1.013 . . . . 0.2 111.326 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.516 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 21.5 t0 -60.46 -67.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.998 0.428 . . . . 0.66 110.862 174.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -80.87 -1.28 89.53 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.162 -0.542 . . . . 0.47 114.258 -173.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 76.6 m -135.54 132.84 19.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.739 0.769 . . . . 1.34 111.263 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 16.0 Cg_exo -66.54 -12.53 36.19 Favored 'Trans proline' 0 N--CA 1.472 0.248 0 C-N-CA 123.856 3.037 . . . . 0.88 113.583 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.32 133.63 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 1.74 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -113.57 153.27 29.08 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.686 -0.857 . . . . 1.05 108.686 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.461 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 39.3 m-85 -134.15 168.0 19.65 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.632 0.254 . . . . 0.26 110.42 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.509 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 52.0 m80 -95.75 145.71 25.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 0.21 108.752 169.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.507 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.5 mt -57.01 -51.56 68.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.66 0.267 . . . . 1.1 111.066 -172.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.33 62.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 1.05 112.132 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.0 m -72.17 -20.69 61.56 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.779 0.323 . . . . 0.21 110.926 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.49 155.7 40.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.262 0.553 . . . . 1.04 111.207 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 24.7 t -141.38 113.76 6.74 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.21 -0.905 . . . . 1.36 108.967 172.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.51 133.34 29.36 Favored 'Cis proline' 0 C--O 1.233 0.255 0 C-N-CA 123.644 -1.399 . . . . 0.92 112.598 0.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 324' ' ' SER . 17.8 Cg_endo -64.23 142.39 79.66 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.068 2.512 . . . . 0.74 112.901 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.507 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -92.92 134.99 34.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.397 -0.82 . . . . 1.76 109.688 177.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -89.61 -25.72 21.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.163 0.506 . . . . 3.65 110.094 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -144.59 158.15 43.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.59 -0.732 . . . . 1.57 110.343 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.406 HD13 HD23 ' A' ' 320' ' ' LEU . 41.2 mm -75.4 122.46 87.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 1.08 111.439 -175.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -56.84 138.1 84.27 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.255 2.637 . . . . 0.5 112.62 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 p -91.96 40.73 1.05 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.689 0.756 . . . . 2.09 110.407 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -172.23 -172.7 38.31 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.254 -0.885 . . . . 0.68 111.02 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 p -64.53 114.67 4.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.303 0.573 . . . . 1.23 111.375 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.451 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.6 t90 -89.4 143.85 26.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.33 109.795 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.539 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.8 mtt180 -122.33 136.9 54.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 2.37 110.858 -178.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.02 174.46 11.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.462 -0.57 . . . . 0.63 109.462 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 49.2 m -53.75 -43.8 69.46 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.137 0.421 . . . . 1.9 112.137 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 35.8 t -60.17 -44.04 95.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.281 . . . . 1.87 111.14 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.453 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 86.0 m -60.71 -40.95 94.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.57 111.103 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.38 -39.93 92.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 1.43 110.376 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -73.06 -19.41 61.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.871 -0.604 . . . . 2.44 111.143 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -90.73 -6.42 54.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.078 0.466 . . . . 1.57 110.305 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.466 HG22 HG22 ' A' ' 348' ' ' VAL . 17.1 p -129.05 46.14 2.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.722 -0.672 . . . . 2.87 111.071 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.0 -59.27 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.007 -0.542 . . . . 5.91 110.402 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.26 61.41 5.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.948 0.404 . . . . 7.44 111.181 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 45.44 38.48 3.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.711 1.004 . . . . 7.68 113.711 174.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . 0.466 HG22 HG22 ' A' ' 344' ' ' THR . 61.7 t 54.97 75.78 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 O-C-N 123.596 0.56 . . . . 9.32 111.6 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.8 91.42 0.08 OUTLIER Pre-proline 0 N--CA 1.465 0.321 0 CA-C-N 115.569 -0.741 . . . . 10.92 111.43 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 160.8 34.87 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.493 2.129 . . . . 12.53 111.892 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -77.91 83.42 4.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.405 0.621 . . . . 15.21 110.088 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -103.31 58.53 0.75 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 15.81 109.271 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.93 -66.41 0.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.073 -0.967 . . . . 17.69 110.264 -172.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.764 -0.636 . . . . 18.81 110.123 176.654 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.663 -0.495 . . . . 1.07 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.856 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 35.8 ttm-85 -83.34 70.19 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.381 0.61 . . . . 0.85 109.864 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.67 142.55 49.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.579 -0.737 . . . . 1.41 111.427 -175.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.633 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.7 mtpp -132.75 131.5 41.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 1.4 110.235 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -109.35 81.64 1.47 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.268 -0.641 . . . . 3.51 109.268 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -99.0 -173.37 2.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.761 -0.654 . . . . 1.49 110.923 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.97 134.54 33.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 1.46 109.696 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 8' ' ' ARG . 50.8 mtt-85 -61.62 147.57 45.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 3.54 110.738 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.628 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 2.4 mmmp? -105.1 168.33 9.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.783 -0.644 . . . . 3.91 110.42 -173.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.5 -0.762 . . . . 4.73 109.89 176.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.682 -0.567 . . . . 8.25 111.682 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -81.08 174.11 11.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.783 0.325 . . . . 6.65 110.379 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.5 tpt -149.19 69.4 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.871 -0.789 . . . . 6.91 108.871 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -91.49 78.87 5.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 3.66 110.753 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -132.6 68.32 1.5 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.611 0.72 . . . . 5.37 109.437 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -129.33 104.67 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 3.84 110.325 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.779 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -139.88 135.37 32.83 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.972 0.415 . . . . 1.99 110.598 175.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . 0.494 ' HG3' ' HB2' ' A' ' 315' ' ' PRO . 43.9 mt-10 -83.44 151.05 25.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.486 -0.779 . . . . 1.11 109.658 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.513 ' HB3' HG21 ' B' ' 6' ' ' THR . 10.5 m-20 -101.79 19.59 17.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.929 0.395 . . . . 0.49 111.281 -171.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.37 135.94 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.533 0.682 . . . . 2.53 110.169 173.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 41.2 t -64.45 137.54 57.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.867 -1.061 . . . . 0.21 111.625 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.514 ' HB1' ' CE2' ' A' ' 318' ' ' PHE . . . -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.6 -0.727 . . . . 1.11 111.254 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.584 HG12 ' HB3' ' A' ' 322' ' ' CYS . 73.5 t -78.43 -67.33 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.946 -0.57 . . . . 1.06 111.856 -178.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.12 0.25 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.41 112.323 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 31.2 mmt180 61.46 28.64 17.94 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.292 0.568 . . . . 2.95 111.682 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.742 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.8 t0 -100.32 179.12 4.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.448 -0.945 . . . . 1.54 108.448 174.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -133.84 -168.42 11.82 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.751 -0.738 . . . . 0.7 112.026 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 111.98 -119.84 5.17 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.629 -0.796 . . . . 0.57 112.072 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.46 82.08 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.241 0.543 . . . . 1.91 110.431 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 58.8 mt -95.34 150.51 20.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.532 -0.758 . . . . 1.08 111.888 -176.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.45 114.49 31.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.359 -0.837 . . . . 1.05 109.066 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.721 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.9 m -102.4 148.32 25.63 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 2.08 110.926 -172.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.656 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 33.7 t -74.17 152.54 39.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.2 111.102 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.537 ' HA ' HH21 ' B' ' 2' ' ' ARG . 36.1 t70 -60.34 -67.03 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.166 -0.47 . . . . 0.66 110.856 175.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -73.11 -14.39 78.97 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.815 -0.629 . . . . 0.47 114.606 -172.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 28.0 p -136.8 132.25 18.38 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 117.855 0.828 . . . . 1.34 110.312 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.494 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 29.4 Cg_endo -64.05 -4.37 7.48 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.223 2.615 . . . . 0.88 114.264 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -57.4 123.85 16.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.969 0.414 . . . . 1.74 110.959 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 308' ' ' LEU . . . -106.69 151.46 25.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.605 -0.725 . . . . 1.05 109.563 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.584 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 51.9 m-85 -134.27 169.94 16.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.849 0.357 . . . . 0.26 110.578 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.597 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.1 m80 -98.77 146.21 26.14 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.223 -0.658 . . . . 0.21 109.223 170.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.661 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 96.3 mt -54.4 -52.11 62.72 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 123.37 0.419 . . . . 1.1 111.691 -173.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . 0.423 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -75.75 -19.76 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 1.05 111.85 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.597 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.2 m -77.17 -22.19 52.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.483 -0.326 . . . . 0.21 110.98 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.04 158.33 36.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.004 0.431 . . . . 1.04 111.373 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.3 t -140.5 114.73 7.43 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.854 -0.612 . . . . 1.36 109.512 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.8 Cg_exo -71.39 139.93 61.82 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.699 -1.376 . . . . 0.92 111.836 -1.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.2 Cg_exo -67.91 142.35 56.81 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.969 2.446 . . . . 0.74 112.504 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.661 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -92.35 128.32 38.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.846 -0.616 . . . . 1.76 110.406 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -83.12 -22.41 33.36 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.213 0.53 . . . . 3.65 110.131 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.49 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.331 -0.85 . . . . 1.57 110.016 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.46 HG21 ' HB2' ' B' ' 1' ' ' ALA . 31.3 mm -72.89 126.79 90.36 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 1.08 112.126 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.603 ' HG2' ' HB3' ' B' ' 1' ' ' ALA . 12.4 Cg_endo -64.88 137.2 52.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.909 2.406 . . . . 0.5 112.115 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.2 t -93.2 52.44 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.607 -0.724 . . . . 2.09 110.5 -171.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.68 -170.58 39.39 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.851 -0.9 . . . . 0.68 110.851 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.6 p -65.74 120.46 13.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.296 0.569 . . . . 1.23 110.51 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.443 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -100.45 145.69 27.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.835 -0.621 . . . . 0.33 110.0 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.656 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.6 mtt180 -124.91 137.26 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 2.37 110.666 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 21.7 p -77.75 177.85 7.83 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.234 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.2 m -56.65 -46.53 81.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.668 -0.242 . . . . 1.9 111.157 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 48.9 m -57.24 -42.8 82.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.579 -0.282 . . . . 1.87 111.278 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.464 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 84.8 m -61.36 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.57 111.05 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.53 -38.81 71.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.245 0.545 . . . . 1.43 110.29 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -60.11 -26.92 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.23 -0.896 . . . . 2.44 111.087 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -78.59 4.76 12.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 1.57 111.306 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.9 p -132.48 30.88 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.884 0.85 . . . . 2.87 109.832 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.28 -41.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.507 -1.224 . . . . 5.91 110.513 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.2 154.33 27.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.676 -0.693 . . . . 7.44 111.218 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.61 83.92 1.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.464 0.65 . . . . 7.68 109.757 177.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 10.8 p -163.02 30.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.722 1.248 . . . . 9.32 107.851 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.56 135.67 32.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.002 -1.454 . . . . 10.92 110.543 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -57.7 118.33 5.18 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.634 2.223 . . . . 12.53 110.478 171.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -54.84 -32.79 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 15.21 111.355 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . 44.95 57.75 4.45 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 124.029 0.83 . . . . 15.81 111.856 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -65.0 157.58 27.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.777 -0.647 . . . . 17.69 111.262 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.6 -0.727 . . . . 18.81 110.318 -179.581 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.603 ' HB3' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.619 0.247 . . . . 1.07 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.779 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 35.0 ttm-85 -77.25 85.74 3.69 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.85 110.107 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.53 139.7 30.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.785 0.326 . . . . 1.41 110.96 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.8 mtpp -125.99 136.38 52.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 1.4 110.354 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -104.95 74.1 1.1 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.21 -1.033 . . . . 3.51 108.21 169.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.551 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 0.9 OUTLIER -95.14 174.2 7.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.373 -0.83 . . . . 1.49 111.264 -170.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.409 ' H ' HG23 ' B' ' 6' ' ' THR . . . -70.76 135.24 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 1.46 110.261 174.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 -74.03 152.95 39.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.366 -0.379 . . . . 3.54 110.499 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.742 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 31.3 mmtp -113.57 22.38 14.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.14 -0.689 . . . . 3.91 109.14 -176.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.952 0 CA-C-N 114.938 -1.028 . . . . 4.73 110.557 -179.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.601 -0.6 . . . . 8.25 111.601 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -102.28 11.27 38.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 6.65 110.735 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.74 58.31 3.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 6.91 110.392 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.0 4.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.763 -1.108 . . . . 3.66 108.964 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 294' ' ' LYS . 8.4 tp-100 -80.63 167.3 20.21 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.222 -0.658 . . . . 5.37 109.222 175.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 315' ' ' PRO . 38.9 tptt -125.46 141.22 52.17 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.406 -0.961 . . . . 3.84 108.406 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.72 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 6.5 p30 -117.71 135.99 53.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.3 0.572 . . . . 1.99 110.412 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.11 143.1 32.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.508 -0.769 . . . . 1.11 109.965 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.472 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.5 m-20 -87.21 11.83 13.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.898 0.333 . . . . 0.49 111.898 -173.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.82 145.81 35.14 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.447 0.642 . . . . 2.53 110.576 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.5 t -75.52 137.43 40.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.566 -1.197 . . . . 0.21 111.745 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.433 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.02 -14.77 62.25 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.637 -0.71 . . . . 1.11 111.481 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.644 HG13 ' HB3' ' A' ' 322' ' ' CYS . 74.3 t -82.55 -64.56 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 1.06 111.749 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 304' ' ' ASP . 4.3 p -114.37 5.65 15.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.524 0.565 . . . . 0.41 112.524 -173.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 62.15 20.95 12.08 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.509 0.671 . . . . 2.95 110.79 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.624 ' HB2' ' SG ' ' A' ' 302' ' ' CYS . 0.2 OUTLIER -92.02 164.21 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.368 -0.833 . . . . 1.54 110.661 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.499 ' H ' ' H ' ' B' ' 9' ' ' LYS . . . -114.51 -175.37 18.72 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 110.768 -0.933 . . . . 0.7 110.768 175.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 123.65 -136.03 10.13 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.335 -0.936 . . . . 0.57 111.911 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.46 91.56 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 1.91 110.148 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.846 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 77.0 mt -100.07 149.31 23.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.829 -0.623 . . . . 1.08 111.954 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . 0.596 HG13 ' HB3' ' B' ' 1' ' ' ALA . 6.2 tt -128.89 108.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.169 -0.923 . . . . 1.05 109.371 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.825 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.1 t -95.84 147.55 23.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.361 0.601 . . . . 2.08 111.255 -176.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.561 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 40.9 t -74.99 155.64 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.029 -0.987 . . . . 0.2 111.47 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.483 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 17.9 t70 -59.92 -68.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.207 -0.451 . . . . 0.66 111.163 174.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.48 -4.04 86.11 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.845 -0.693 . . . . 0.47 113.671 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 72.0 m -129.23 132.63 24.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.276 0.538 . . . . 1.34 110.999 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 14.1 Cg_exo -67.0 -15.84 47.94 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.497 2.798 . . . . 0.88 113.785 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.433 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 88.6 mtt180 -59.44 129.86 44.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.062 0.458 . . . . 1.74 111.771 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.597 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -107.28 148.7 28.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.402 -0.817 . . . . 1.05 108.826 171.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.478 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 38.0 m-85 -131.96 171.4 13.62 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.724 0.297 . . . . 0.26 110.322 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.3 m80 -100.47 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.208 -0.664 . . . . 0.21 109.208 170.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.664 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 73.7 mt -54.08 -55.27 29.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.905 0.383 . . . . 1.1 111.623 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.9 -20.77 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.637 -0.711 . . . . 1.05 112.135 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.644 ' HB3' HG13 ' A' ' 301' ' ' VAL . 74.5 m -78.74 -25.5 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.21 111.563 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.461 HD12 HD23 ' A' ' 327' ' ' LEU . 38.1 mt -65.5 160.29 22.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 1.04 111.603 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 23.2 t -139.05 110.95 7.87 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.099 -0.5 . . . . 1.36 109.864 174.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.9 Cg_exo -71.85 144.79 81.15 Favored 'Cis proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.695 -1.377 . . . . 0.92 112.249 -1.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 10.1 Cg_exo -67.96 138.1 43.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.967 2.445 . . . . 0.74 112.241 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.664 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.6 mm? -85.65 127.88 34.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 1.76 109.791 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -84.82 -18.57 34.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.404 0.621 . . . . 3.65 110.436 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.66 158.52 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.083 -0.962 . . . . 1.57 110.435 -172.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 330' ' ' ILE . 31.1 mm -81.78 114.02 47.09 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 1.08 110.059 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.61 133.08 37.95 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.848 2.365 . . . . 0.5 112.369 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 15.4 t -90.48 59.99 4.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.622 0.725 . . . . 2.09 109.865 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 179.08 -168.37 39.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.313 -0.858 . . . . 0.68 111.26 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.64 115.01 6.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.047 0.451 . . . . 1.23 110.871 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.561 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.2 t90 -96.56 147.08 24.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.33 110.048 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.548 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 97.2 mtt180 -124.94 134.21 52.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 2.37 111.098 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.7 p -78.68 175.08 10.75 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.198 -0.455 . . . . 0.63 109.966 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 19.6 m -52.07 -42.3 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.917 0.34 . . . . 1.9 111.917 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.8 m -55.71 -49.22 73.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.825 0.345 . . . . 1.87 111.572 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.469 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 82.1 m -65.98 -43.37 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.643 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.14 -33.33 74.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 1.43 111.131 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -72.54 -28.61 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.906 -0.588 . . . . 2.44 111.406 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -88.6 11.85 16.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.14 0.422 . . . . 1.57 112.14 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.4 p -79.75 41.86 0.51 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.357 0.599 . . . . 2.87 111.708 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . 0.447 ' O ' ' HB2' ' A' ' 346' ' ' GLN . 12.5 t -103.84 -6.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 5.91 110.16 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 345' ' ' VAL . 28.6 mt-30 71.45 145.79 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.319 -0.855 . . . . 7.44 110.885 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -88.1 86.05 7.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.164 -0.471 . . . . 7.68 110.376 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 10.4 p 39.52 67.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.229 1.014 . . . . 9.32 111.701 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -128.85 86.87 56.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.276 -0.874 . . . . 10.92 110.515 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -72.72 104.55 1.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.372 2.048 . . . . 12.53 111.381 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -124.24 122.84 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.103 -0.499 . . . . 15.21 111.232 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.48 66.95 7.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.768 -0.651 . . . . 15.81 110.106 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -80.98 150.46 28.9 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.21 -1.033 . . . . 17.69 108.21 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.361 -0.828 . . . . 18.81 109.319 -167.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.596 ' HB3' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.879 -0.415 . . . . 1.07 109.879 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.825 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 33.7 ttm-85 -82.84 76.04 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.234 0.54 . . . . 0.85 109.918 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p -76.79 148.36 36.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.686 0.624 . . . . 1.41 112.686 -172.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.846 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 29.3 mtpp -133.87 153.73 51.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.177 -0.92 . . . . 1.4 109.245 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -131.68 71.86 1.48 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.489 . . . . 3.51 110.142 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.409 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 41.9 p -92.71 -176.62 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.684 -0.689 . . . . 1.49 110.933 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.81 137.59 38.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.168 -0.469 . . . . 1.46 109.774 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.454 ' HA ' ' O ' ' A' ' 305' ' ' GLY . 87.2 mtt180 -67.41 102.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 3.54 111.75 -177.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.577 ' HB2' ' OD2' ' A' ' 304' ' ' ASP . 4.2 ttmp? 77.82 113.16 0.07 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.316 -1.311 . . . . 3.91 111.509 173.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.505 -0.76 . . . . 4.73 109.748 175.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . 0.741 ' HA3' ' OD1' ' A' ' 312' ' ' ASP . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.15 -0.38 . . . . 8.25 112.15 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -61.03 117.74 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.102 0.408 . . . . 6.65 112.102 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 66.7 mtt 66.83 18.44 10.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.702 -0.681 . . . . 6.91 112.132 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 50.63 48.98 21.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.242 0.544 . . . . 3.66 110.358 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -69.1 134.97 50.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 5.37 110.662 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.42 149.34 46.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.376 -0.829 . . . . 3.84 110.838 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.765 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.3 p30 -102.08 136.51 41.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 1.99 110.341 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . 0.411 ' O ' ' HE2' ' B' ' 4' ' ' LYS . 39.1 mt-10 -77.79 145.84 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.571 -0.529 . . . . 1.11 109.571 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.566 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 40.6 m-20 -91.16 35.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.054 -0.258 . . . . 0.49 110.66 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.474 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 0.2 OUTLIER -141.88 153.98 44.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.412 0.625 . . . . 2.53 111.161 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.628 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 39.8 t -88.83 136.43 33.01 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.823 -1.08 . . . . 0.21 109.443 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.616 ' HB3' ' HD3' ' A' ' 316' ' ' ARG . . . -66.23 -14.25 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.022 0.439 . . . . 1.11 111.476 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.51 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -79.28 -56.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 1.06 111.213 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -123.01 6.19 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.191 0.811 . . . . 0.41 113.191 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 58.89 33.04 22.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.098 0.475 . . . . 2.95 111.543 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.694 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 3.9 t70 -114.37 177.69 4.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.586 -0.524 . . . . 1.54 109.586 -178.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -126.82 -167.74 12.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.082 -0.58 . . . . 0.7 111.958 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 115.3 -119.74 4.72 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.034 -1.079 . . . . 0.57 111.984 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -80.97 85.61 6.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.314 0.578 . . . . 1.91 110.176 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.912 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 92.9 mt -102.55 142.67 33.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.318 -0.855 . . . . 1.08 111.907 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 7.4 tt -123.42 116.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.312 -0.858 . . . . 1.05 109.011 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 52.7 t -105.17 144.07 32.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 2.08 111.37 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 40.6 t -74.84 142.27 44.17 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.2 109.336 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.741 ' OD1' ' HA3' ' A' ' 289' ' ' GLY . 12.1 t70 -61.16 -64.79 0.83 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.414 -0.515 . . . . 0.66 111.478 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.85 -3.16 59.0 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.111 -0.566 . . . . 0.47 114.399 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 95.0 m -136.59 127.19 16.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 117.685 0.742 . . . . 1.34 110.743 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -66.48 -10.39 27.61 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.211 2.607 . . . . 0.88 113.735 -171.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.616 ' HD3' ' HB3' ' A' ' 300' ' ' ALA . 25.6 mtt180 -63.33 136.45 57.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 1.74 111.524 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.628 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.29 162.6 16.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.583 -0.735 . . . . 1.05 109.138 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 300' ' ' ALA . 56.0 m-85 -142.55 165.89 26.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.26 110.534 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.485 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.8 m80 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.29 -0.633 . . . . 0.21 109.29 171.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 330' ' ' ILE . 65.5 mt -56.57 -52.06 66.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.03 0.206 . . . . 1.1 111.288 -173.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.87 57.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.245 0.461 . . . . 1.05 112.245 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.503 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.5 m -79.15 -18.8 52.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.059 0.457 . . . . 0.21 110.66 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.76 152.2 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.081 0.467 . . . . 1.04 110.844 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -140.44 113.01 7.25 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.658 -0.701 . . . . 1.36 109.267 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.06 137.75 48.57 Favored 'Cis proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.284 -1.548 . . . . 0.92 112.576 0.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.85 147.84 75.63 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.88 2.386 . . . . 0.74 112.079 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -95.62 123.78 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.183 0.516 . . . . 1.76 110.732 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 328' ' ' ARG . 11.5 ptp180 -78.95 -27.07 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 3.65 110.77 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -142.28 154.17 44.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.632 -0.713 . . . . 1.57 109.655 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 320' ' ' LEU . 25.4 mm -79.2 119.31 76.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.113 0.483 . . . . 1.08 111.699 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 11.3 Cg_endo -63.13 139.11 70.95 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.951 2.434 . . . . 0.5 112.169 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 t -98.13 48.4 1.0 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.401 0.619 . . . . 2.09 110.189 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.37 -169.74 27.26 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.435 -0.802 . . . . 0.68 111.124 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.1 p -66.88 108.5 2.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.247 0.546 . . . . 1.23 110.754 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.49 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.9 t90 -88.81 142.53 27.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.33 109.755 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.465 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 79.1 mtt180 -114.92 133.26 56.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.037 -0.529 . . . . 2.37 110.635 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 28.5 p -78.19 176.42 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.974 -0.38 . . . . 0.63 109.974 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.8 m -51.57 -45.86 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.18 0.3 . . . . 1.9 111.76 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.3 m -56.43 -46.72 80.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.241 -0.436 . . . . 1.87 111.176 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.8 m -66.88 -42.72 85.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.57 111.441 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.26 -33.08 73.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 1.43 111.046 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.77 -8.25 56.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 2.44 111.144 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -98.94 13.13 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.314 . . . . 1.57 111.077 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 p -130.99 84.99 2.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 2.87 109.939 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 23.5 t -89.83 -24.14 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 5.91 111.031 -173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -83.14 61.65 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.494 0.664 . . . . 7.44 110.328 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -120.99 149.83 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.078 -0.965 . . . . 7.68 109.061 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . 0.421 ' O ' ' HB3' ' A' ' 349' ' ' GLN . 8.1 p -144.74 22.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.357 0.599 . . . . 9.32 110.387 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.5 ' HG2' ' HG2' ' A' ' 351' ' ' ARG . 57.7 tt0 70.51 107.87 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.459 0 CA-C-N 115.362 -0.836 . . . . 10.92 110.294 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.49 53.39 4.29 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.864 2.376 . . . . 12.53 113.729 -174.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . 0.5 ' HG2' ' HG2' ' A' ' 349' ' ' GLN . 2.6 mmp_? -83.66 4.68 27.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 15.21 111.12 174.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.86 82.92 1.67 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.281 -0.637 . . . . 15.81 109.281 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -83.76 105.13 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.024 -0.535 . . . . 17.69 110.353 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.623 -0.703 . . . . 18.81 110.212 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.95 -0.389 . . . . 1.07 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.412 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 23.7 ttp180 -80.25 83.46 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.521 . . . . 0.85 109.885 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -83.21 147.26 28.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.425 0.631 . . . . 1.41 112.548 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.8 mtpp -130.71 141.18 50.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.252 -0.885 . . . . 1.4 110.027 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -120.05 62.75 0.83 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.304 0.573 . . . . 3.51 109.686 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.459 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 11.7 p -85.04 177.62 7.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.608 -0.724 . . . . 1.49 110.975 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 143.87 26.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.531 -0.914 . . . . 1.46 108.531 172.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -63.06 151.39 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.41 . . . . 3.54 110.651 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.694 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 29.3 mmtp -99.49 21.64 11.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.789 -0.641 . . . . 3.91 110.48 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.589 -0.732 . . . . 4.73 109.853 176.584 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.994 -0.442 . . . . 8.25 111.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -136.62 61.94 1.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.059 0.457 . . . . 6.65 110.587 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 21.6 mmt -64.5 144.88 56.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 6.91 109.863 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -132.03 91.75 3.01 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.17 -0.468 . . . . 3.66 110.217 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.188 -0.671 . . . . 5.37 109.188 177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . 0.514 ' O ' ' HA ' ' A' ' 315' ' ' PRO . 31.1 mmtp -119.22 117.67 29.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.106 -0.702 . . . . 3.84 109.106 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.716 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -143.36 134.71 26.04 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 120.953 0.406 . . . . 1.99 110.47 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.45 140.89 57.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.599 -0.728 . . . . 1.11 110.401 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.93 7.74 35.85 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.233 -0.654 . . . . 0.49 109.233 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.636 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 3.1 mp0 -131.65 142.67 49.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.533 -0.914 . . . . 2.53 108.533 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 38.0 t -69.14 138.19 53.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.403 -0.817 . . . . 0.21 110.314 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -59.85 -24.09 63.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.148 0.499 . . . . 1.11 111.013 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.566 HG13 ' HB3' ' A' ' 322' ' ' CYS . 72.9 t -75.35 -65.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.498 -0.774 . . . . 1.06 111.592 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.7 p -114.54 3.72 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.942 0.719 . . . . 0.41 112.942 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.423 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 29.4 mmm180 56.95 32.88 22.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.826 0.45 . . . . 2.95 111.281 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.636 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 1.2 t70 -104.03 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.636 -0.505 . . . . 1.54 109.636 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.89 13.59 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.462 -0.875 . . . . 0.7 112.335 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 115.8 -125.71 6.79 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.743 -0.741 . . . . 0.57 112.167 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.98 84.89 6.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.402 0.62 . . . . 1.91 110.567 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.568 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -95.9 146.51 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.175 -0.921 . . . . 1.08 111.935 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.1 tt -124.64 112.16 31.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.105 -0.952 . . . . 1.05 109.165 171.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.7 m -101.89 148.79 24.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.926 -0.579 . . . . 2.08 110.399 -173.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 41.8 t -74.32 150.85 39.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.849 -0.614 . . . . 0.2 110.98 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.481 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.9 t70 -61.21 -67.1 0.44 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.263 -0.426 . . . . 0.66 110.885 175.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.4 -14.04 74.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 114.934 0.734 . . . . 0.47 114.934 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.528 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 16.3 p -136.44 134.04 19.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 118.027 0.914 . . . . 1.34 110.507 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 294' ' ' LYS . 31.4 Cg_endo -62.31 -6.93 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.777 2.984 . . . . 0.88 114.814 -173.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -62.42 131.89 50.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.371 . . . . 1.74 111.843 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.3 155.25 23.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 1.05 109.347 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.606 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 50.5 m-85 -138.76 167.24 22.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.918 0.39 . . . . 0.26 110.961 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.589 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.9 m80 -98.41 145.71 26.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.605 -0.887 . . . . 0.21 108.605 168.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 83.1 mt -53.65 -52.13 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.943 0.349 . . . . 1.1 111.943 -173.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.08 -23.24 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 1.05 112.081 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.589 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 76.4 m -75.83 -23.5 55.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.21 110.861 -176.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.0 157.1 34.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.153 -0.476 . . . . 1.04 111.45 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 30.8 t -139.47 113.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.009 -0.542 . . . . 1.36 109.636 173.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.5 Cg_exo -69.46 141.78 66.51 Favored 'Cis proline' 0 C--N 1.345 0.349 0 C-N-CA 123.734 -1.361 . . . . 0.92 112.165 -1.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 13.3 Cg_exo -67.27 143.65 65.24 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.759 2.306 . . . . 0.74 112.487 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 67.7 mt -89.33 135.89 33.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 1.76 110.623 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.87 -21.79 17.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.14 0.495 . . . . 3.65 110.16 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.49 161.16 38.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.464 -0.789 . . . . 1.57 110.419 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 330' ' ' ILE . 23.9 mm -86.91 118.35 69.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 1.08 111.167 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.662 ' HG2' ' HB3' ' B' ' 1' ' ' ALA . 16.3 Cg_endo -66.14 138.68 52.71 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.665 2.243 . . . . 0.5 112.312 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.3 m -98.27 47.27 1.0 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.464 0.649 . . . . 2.09 110.635 -174.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -165.19 -170.2 29.82 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.489 -0.778 . . . . 0.68 111.3 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.2 p -66.82 109.85 3.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.215 0.531 . . . . 1.23 110.917 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.437 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 75.1 t90 -94.91 146.85 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.024 -0.535 . . . . 0.33 110.363 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.688 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 52.4 mtt-85 -124.9 137.36 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 2.37 111.107 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 17.3 p -80.86 178.51 8.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.63 109.962 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.6 p -55.71 -46.72 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 1.9 111.16 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.4 m -56.37 -45.47 80.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 1.87 111.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . . . . . . . . . 84.1 m -66.3 -40.06 89.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.33 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 94.8 mt -62.57 -26.01 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 1.43 110.709 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 342' ' ' GLN . 46.7 tt0 -97.11 12.28 33.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.41 0.624 . . . . 2.44 110.489 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -97.44 -1.33 44.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.005 0.431 . . . . 1.57 110.676 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.4 p -100.31 165.46 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.818 -0.628 . . . . 2.87 110.432 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.87 -3.2 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 5.91 110.326 -173.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 64.28 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.199 -0.909 . . . . 7.44 111.536 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.19 94.4 3.9 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.888 -0.412 . . . . 7.68 109.888 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.4 22.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.472 0.653 . . . . 9.32 110.274 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 52.94 90.06 0.09 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 115.082 -0.963 . . . . 10.92 111.035 -172.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.19 144.67 57.85 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.394 2.062 . . . . 12.53 111.534 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.79 37.35 4.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.044 0.449 . . . . 15.21 110.26 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -64.19 115.04 4.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.626 -0.715 . . . . 15.81 110.667 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.91 120.45 24.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.027 -0.533 . . . . 17.69 109.836 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.38 -0.819 . . . . 18.81 109.665 -175.384 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.662 ' HB3' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.773 -0.454 . . . . 1.07 109.773 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.716 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 43.8 ttm-85 -78.93 82.6 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.85 110.483 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.1 p -81.97 137.47 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.928 0.344 . . . . 1.41 111.928 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.2 mtpp -119.66 132.48 55.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.983 -0.553 . . . . 1.4 110.699 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -100.37 77.34 1.93 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.164 -0.68 . . . . 3.51 109.164 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.441 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 23.0 p -101.68 171.21 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 1.49 111.024 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.19 141.55 32.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.877 -0.602 . . . . 1.46 109.51 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -69.0 151.38 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 3.54 110.218 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.404 ' HZ3' ' HG3' ' A' ' 298' ' ' GLU . 88.1 mttt -121.34 -177.0 3.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.265 -0.425 . . . . 3.91 111.89 -166.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.75 -0.643 . . . . 4.73 109.348 178.093 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.049 -0.42 . . . . 8.25 112.049 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -116.09 -170.05 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.879 -0.415 . . . . 6.65 109.879 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 25.6 mmt 63.65 27.43 14.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.558 0.694 . . . . 6.91 110.253 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -121.27 95.42 4.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.101 -0.954 . . . . 3.66 109.419 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -153.84 92.18 1.53 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.203 -0.665 . . . . 5.37 109.203 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -131.82 150.96 51.99 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.723 -0.671 . . . . 3.84 109.77 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.724 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 1.1 p30 -141.38 133.46 27.75 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.147 0.499 . . . . 1.99 109.89 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.95 156.77 27.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.557 -0.747 . . . . 1.11 109.764 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.9 11.39 33.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.671 0.272 . . . . 0.49 110.78 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.602 ' HB3' ' HG3' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -137.97 143.43 40.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.434 0.635 . . . . 2.53 110.514 174.659 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.708 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.4 t -70.53 138.29 50.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.95 -1.023 . . . . 0.21 110.98 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . . . . . . . . . . . -65.24 -11.21 38.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.65 -0.705 . . . . 1.11 111.256 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.519 HG13 ' HB3' ' A' ' 322' ' ' CYS . 88.1 t -88.85 -66.97 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.107 -0.497 . . . . 1.06 111.612 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.0 p -108.67 7.76 26.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.575 0.583 . . . . 0.41 112.575 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.418 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 28.0 mmt180 57.09 33.24 23.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.312 0.486 . . . . 2.95 112.312 176.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.781 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 2.6 t0 -121.47 174.19 6.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.654 -0.498 . . . . 1.54 109.654 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.05 -172.01 16.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.022 -0.609 . . . . 0.7 111.688 -176.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.65 -132.14 8.09 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.717 -0.754 . . . . 0.57 111.734 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.14 79.03 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.305 0.574 . . . . 1.91 110.246 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.668 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 59.6 mt -91.51 151.85 20.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.165 -0.925 . . . . 1.08 111.313 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . 0.402 HG13 ' HB2' ' B' ' 1' ' ' ALA . 9.8 tt -132.53 106.09 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.441 -0.8 . . . . 1.05 109.064 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.93 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.0 t -89.81 146.29 24.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.355 -0.839 . . . . 2.08 111.495 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.588 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.5 t -74.65 154.2 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.117 -0.947 . . . . 0.2 111.16 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.45 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.9 t70 -60.24 -69.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.66 111.279 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.25 -4.38 89.66 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.023 -0.608 . . . . 0.47 113.884 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 72.5 m -128.38 127.41 23.67 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 117.132 0.466 . . . . 1.34 110.633 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.36 -11.32 29.7 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.088 2.525 . . . . 0.88 113.798 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -59.14 129.01 40.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.05 0.452 . . . . 1.74 111.199 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.48 145.94 39.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.444 -0.798 . . . . 1.05 108.912 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.469 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 57.8 m-85 -127.36 163.45 23.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.777 0.322 . . . . 0.26 111.407 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.552 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 41.1 m80 -90.07 145.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.188 -0.671 . . . . 0.21 109.188 170.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.27 -53.99 50.68 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.169 -0.212 . . . . 1.1 111.394 -173.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -69.86 -24.21 63.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.158 -0.473 . . . . 1.05 111.886 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.552 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 71.5 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.449 -0.341 . . . . 0.21 111.044 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.6 mt -73.09 159.18 33.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 1.04 111.962 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 30.7 t -140.0 114.41 7.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.508 -0.769 . . . . 1.36 109.712 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 12.5 Cg_exo -71.86 143.67 77.64 Favored 'Cis proline' 0 C--N 1.344 0.318 0 C-N-CA 123.728 -1.364 . . . . 0.92 111.913 -2.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.1 Cg_exo -72.21 123.76 9.45 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.662 2.241 . . . . 0.74 112.079 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.22 131.47 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 1.76 110.123 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -85.19 -25.79 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.204 0.526 . . . . 3.65 109.918 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.48 159.28 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.474 -0.785 . . . . 1.57 110.027 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 30.0 mm -77.17 116.71 59.76 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 1.08 111.538 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -68.7 138.0 40.21 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.926 2.417 . . . . 0.5 113.583 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.9 t -94.89 109.86 21.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.181 -0.918 . . . . 2.09 109.158 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 142.03 -170.88 24.76 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.856 -0.687 . . . . 0.68 111.583 -174.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.6 p -81.12 102.2 10.11 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.16 0.505 . . . . 1.23 111.012 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.588 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 90.5 t90 -85.5 142.37 29.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.963 -0.562 . . . . 0.33 109.612 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.549 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 20.4 mtm180 -125.74 137.85 53.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.843 -0.617 . . . . 2.37 111.121 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.5 172.97 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.365 -0.38 . . . . 0.63 110.215 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.9 m -54.53 -43.73 72.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.939 0.348 . . . . 1.9 111.939 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 37.6 t -56.36 -48.25 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.502 -0.317 . . . . 1.87 111.242 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 91.3 m -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.57 111.02 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.91 -40.64 79.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.43 110.962 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.79 -23.24 55.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 2.44 111.105 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -80.6 19.51 0.81 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.102 0.477 . . . . 1.57 111.545 -177.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.7 p -84.69 -164.1 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 2.87 110.423 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.71 -21.13 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 5.91 110.505 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -56.4 -52.28 65.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.747 -0.66 . . . . 7.44 110.568 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.615 ' OE2' ' HA ' ' A' ' 350' ' ' PRO . 33.6 tt0 -137.5 105.12 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.368 0.604 . . . . 7.68 109.896 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.76 16.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.881 0.848 . . . . 9.32 110.148 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -154.48 78.42 5.13 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.978 -1.01 . . . . 10.92 109.367 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . 0.615 ' HA ' ' OE2' ' A' ' 347' ' ' GLU . 33.8 Cg_endo -65.68 123.6 11.6 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.121 2.547 . . . . 12.53 112.105 -174.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . 0.485 ' NE ' ' HA ' ' A' ' 351' ' ' ARG . 5.4 mmp_? -111.51 32.04 5.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.163 -0.472 . . . . 15.21 111.547 -175.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.2 36.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.498 -0.556 . . . . 15.81 109.498 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.26 16.78 9.72 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.477 0.485 . . . . 17.69 111.799 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . 0.403 ' CD ' ' HD3' ' A' ' 351' ' ' ARG . 35.7 tt0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.361 -0.828 . . . . 18.81 109.48 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.402 ' HB2' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.877 -0.416 . . . . 1.07 109.877 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.93 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 28.1 ttm-85 -87.27 73.54 9.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.85 110.251 -173.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.63 144.12 49.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.945 -0.571 . . . . 1.41 111.585 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.724 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 49.9 mtpt -135.54 162.03 33.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.041 -0.527 . . . . 1.4 110.134 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.467 ' C ' ' HG1' ' B' ' 6' ' ' THR . 97.3 mt-30 -117.37 -55.25 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.914 -0.585 . . . . 3.51 109.723 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.467 ' HG1' ' C ' ' B' ' 5' ' ' GLN . 21.5 p 49.69 -170.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.901 1.074 . . . . 1.49 113.901 173.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.11 149.15 25.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.705 -1.134 . . . . 1.46 108.312 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -84.28 155.52 22.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.31 0.576 . . . . 3.54 110.998 -173.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.781 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 31.8 mmmt -97.25 21.23 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.514 -0.766 . . . . 3.91 110.294 -172.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.338 -0.839 . . . . 4.73 110.397 179.567 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.19 -0.364 . . . . 8.25 112.19 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -75.44 -19.25 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 6.65 109.955 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 87.5 mtp -95.81 161.35 14.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 6.91 109.111 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -95.32 9.49 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.651 0.262 . . . . 3.66 111.431 -174.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -150.68 141.16 22.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.719 0.295 . . . . 5.37 110.571 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -146.51 145.39 30.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.05 -0.523 . . . . 3.84 109.622 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.624 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -135.59 135.2 40.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.288 -0.415 . . . . 1.99 109.959 177.644 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . 0.496 ' OE2' ' HG2' ' A' ' 316' ' ' ARG . 21.1 mt-10 -71.03 151.9 44.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.011 -0.54 . . . . 1.11 111.052 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.9 8.02 44.44 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.113 0.482 . . . . 0.49 109.985 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.441 ' HB2' ' HD3' ' A' ' 303' ' ' ARG . 1.1 mp0 -135.81 140.64 44.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.83 -0.804 . . . . 2.53 108.83 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.579 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 43.1 t -63.96 137.07 57.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.21 110.463 178.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.636 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -69.12 -13.04 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.092 0.473 . . . . 1.11 111.244 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -76.58 -59.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.722 -0.672 . . . . 1.06 111.231 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 11.2 p -127.12 3.81 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.81 0.67 . . . . 0.41 112.81 -173.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.441 ' HD3' ' HB2' ' A' ' 298' ' ' GLU . 24.8 mmt180 57.79 39.74 26.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.54 0.57 . . . . 2.95 112.54 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.657 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.7 t0 -107.18 178.18 4.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.162 -1.051 . . . . 1.54 108.162 171.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.57 -177.01 14.94 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.659 -0.781 . . . . 0.7 112.105 -175.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.88 -128.76 6.8 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.939 -0.648 . . . . 0.57 112.068 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.54 84.29 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 1.91 110.607 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -91.99 138.48 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.559 . . . . 1.08 112.069 -176.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.3 tt -120.95 119.96 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.091 -0.958 . . . . 1.05 108.783 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.714 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.6 m -108.83 147.28 32.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.101 0.477 . . . . 2.08 110.804 -171.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.565 ' HB3' ' SG ' ' A' ' 314' ' ' CYS . 44.5 t -74.54 153.13 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.435 -0.802 . . . . 0.2 110.596 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.615 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 35.4 t70 -60.87 -68.11 0.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.732 0.301 . . . . 0.66 111.492 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.72 83.42 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.903 0.721 . . . . 0.47 114.903 -170.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.5 p -136.2 133.96 19.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 117.912 0.856 . . . . 1.34 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.81 -11.62 27.67 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.571 2.847 . . . . 0.88 113.989 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.496 ' HG2' ' OE2' ' A' ' 296' ' ' GLU . 54.3 mtt180 -60.71 128.35 36.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.19 0.519 . . . . 1.74 111.534 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.26 155.75 23.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.318 -0.856 . . . . 1.05 109.289 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' A' ' 300' ' ' ALA . 57.9 m-85 -137.78 168.29 19.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.008 0.433 . . . . 0.26 111.336 -174.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.519 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.8 m80 -96.13 146.29 24.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.554 -0.748 . . . . 0.21 109.116 169.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.532 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.4 mt -56.14 -53.29 58.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.54 0.209 . . . . 1.1 111.373 -174.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.31 -23.16 59.03 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.464 0.542 . . . . 1.05 112.464 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.615 ' HB3' HG13 ' A' ' 301' ' ' VAL . 73.1 m -74.8 -20.54 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.018 0.437 . . . . 0.21 110.524 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.4 154.09 38.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 1.04 111.499 175.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 24.6 t -140.54 115.07 7.44 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.392 -0.822 . . . . 1.36 109.081 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.3 137.79 47.04 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.513 -1.453 . . . . 0.92 112.374 -0.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -70.83 146.77 54.46 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.028 2.486 . . . . 0.74 112.761 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.532 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -94.43 131.7 39.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.642 -0.708 . . . . 1.76 110.328 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . 0.739 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 7.7 ptp180 -83.51 -28.09 28.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.161 0.505 . . . . 3.65 110.403 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . 0.739 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 7.4 pt-20 -149.52 158.95 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.57 110.048 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.472 ' HA ' HD13 ' A' ' 330' ' ' ILE . 31.7 mm -72.36 125.18 91.47 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 1.08 112.26 -174.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.815 ' HG2' ' HB3' ' B' ' 1' ' ' ALA . 18.8 Cg_endo -64.71 146.93 89.54 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.329 2.686 . . . . 0.5 112.35 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.8 p -95.01 34.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 2.09 111.748 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.2 30.62 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.604 -0.807 . . . . 0.68 111.813 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.1 p -65.09 108.15 1.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 1.23 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.446 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.5 t90 -86.34 145.16 27.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.467 -0.788 . . . . 0.33 110.084 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.558 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.2 mtt180 -118.84 134.35 55.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 2.37 110.792 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.77 173.28 9.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.533 -0.303 . . . . 0.63 110.318 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 13.8 m -53.53 -44.53 69.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.836 0.35 . . . . 1.9 111.06 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 14.8 m -56.78 -43.37 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 1.87 111.206 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.474 ' O ' HG23 ' A' ' 345' ' ' VAL . 92.0 m -63.79 -42.31 97.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.95 0.405 . . . . 0.57 111.137 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.37 -42.72 82.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 1.43 110.8 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -76.31 -29.21 57.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.579 . . . . 2.44 111.99 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -85.87 7.11 25.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.964 0.357 . . . . 1.57 111.964 -175.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 35.9 p 50.36 92.67 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.623 0.769 . . . . 2.87 112.845 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 340' ' ' CYS . 62.5 t -83.04 -25.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 5.91 110.269 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -94.87 148.21 22.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.771 -0.649 . . . . 7.44 110.087 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.32 117.0 10.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 7.68 111.607 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.8 38.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.936 0.874 . . . . 9.32 108.843 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -147.02 87.26 6.25 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.358 -0.837 . . . . 10.92 110.432 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -81.22 125.98 5.41 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.52 2.147 . . . . 12.53 112.121 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -86.77 73.43 10.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 15.21 110.155 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -118.93 19.44 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 15.81 111.737 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 45.75 66.2 0.98 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.19 -0.913 . . . . 17.69 111.776 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.529 -0.76 . . . . 18.81 109.999 -177.517 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.815 ' HB3' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.188 -0.301 . . . . 1.07 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.714 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 23.4 ttm-85 -75.31 139.68 42.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.529 -0.915 . . . . 0.85 108.529 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.77 143.36 41.08 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.621 -0.432 . . . . 1.41 111.371 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp -132.96 139.44 47.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 1.4 110.841 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -101.39 102.13 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.514 -0.921 . . . . 3.51 108.514 170.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 p -122.79 155.44 36.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.28 0.562 . . . . 1.49 112.063 -172.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.92 133.96 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.43 -0.805 . . . . 1.46 109.694 173.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' B' ' 8' ' ' ARG . 50.6 mtm180 -66.48 148.1 52.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 3.54 110.831 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.657 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 48.2 mmtm -102.04 6.67 41.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.768 -0.651 . . . . 3.91 110.51 -172.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.251 1.184 0 CA-C-N 115.636 -0.711 . . . . 4.73 111.065 -178.247 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.632 -0.587 . . . . 8.25 111.632 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 58.48 43.52 19.38 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.35 0.595 . . . . 6.65 110.708 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 26.5 ptm -93.09 151.12 20.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.758 -0.655 . . . . 6.91 110.021 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -86.85 138.69 31.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.947 -0.76 . . . . 3.66 108.947 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -120.86 92.59 3.79 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.158 -1.053 . . . . 5.37 108.158 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 315' ' ' PRO . 27.1 tptp -119.02 137.85 53.24 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.822 -0.626 . . . . 3.84 109.539 -170.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.749 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -101.95 135.22 43.89 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.915 -0.584 . . . . 1.99 109.61 176.492 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.14 132.41 45.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.933 -0.576 . . . . 1.11 109.519 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.458 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 21.5 m-20 -90.31 6.08 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.49 111.34 -169.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.6 131.68 31.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.217 0.532 . . . . 2.53 110.017 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.7 t -59.79 137.92 57.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.088 -0.96 . . . . 0.21 111.67 -173.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.506 ' HB3' ' HD3' ' A' ' 316' ' ' ARG . . . -67.53 -12.71 60.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.754 -0.657 . . . . 1.11 111.602 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 322' ' ' CYS . 88.4 t -83.25 -66.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 1.06 111.272 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.4 p -114.66 6.24 15.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.439 0.533 . . . . 0.41 112.439 -173.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 59.6 30.59 20.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.304 0.573 . . . . 2.95 111.848 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.552 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 48.0 t0 -105.95 159.92 15.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.42 -0.809 . . . . 1.54 109.531 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -113.14 -166.04 16.43 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.034 -0.603 . . . . 0.7 112.032 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.514 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 104.81 -112.19 3.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.452 -0.88 . . . . 0.57 112.553 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.67 77.73 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 1.91 110.534 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.953 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -99.15 150.38 22.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.365 -0.834 . . . . 1.08 111.947 -175.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.66 111.57 19.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.494 -0.776 . . . . 1.05 109.393 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 1.001 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 43.5 t -94.68 147.94 22.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.727 -0.67 . . . . 2.08 111.533 -174.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.601 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.6 t -74.23 147.91 42.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.03 -0.986 . . . . 0.2 110.185 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.45 -67.27 0.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.837 -0.345 . . . . 0.66 111.238 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.13 88.56 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.871 -0.68 . . . . 0.47 113.65 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 77.1 m -130.43 126.71 22.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 117.337 0.569 . . . . 1.34 110.86 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.413 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 11.3 Cg_endo -57.93 -20.69 45.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.773 2.982 . . . . 0.88 114.976 -173.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' ' 300' ' ' ALA . 68.4 mtt-85 -59.17 136.73 58.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.397 0.518 . . . . 1.74 112.397 -177.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.599 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -118.34 151.99 36.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.368 -0.833 . . . . 1.05 109.164 173.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.501 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 53.2 m-85 -134.51 169.43 17.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.499 -0.318 . . . . 0.26 110.833 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.598 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -95.89 146.18 24.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.128 -0.693 . . . . 0.21 109.128 170.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.642 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.8 mt -56.19 -54.14 48.74 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.17 0.293 . . . . 1.1 111.566 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.39 -20.22 60.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.069 -0.514 . . . . 1.05 111.931 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 72.0 m -77.19 -23.35 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.21 111.115 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.21 155.01 41.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 1.04 111.155 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 2.9 m -138.72 109.13 7.84 Favored Pre-proline 0 N--CA 1.434 -1.274 0 CA-C-N 115.977 -0.556 . . . . 1.36 110.17 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.0 Cg_exo -69.96 144.59 77.52 Favored 'Cis proline' 0 C--N 1.345 0.381 0 C-N-CA 124.1 -1.208 . . . . 0.92 112.336 -1.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 7.0 Cg_exo -70.52 141.33 41.87 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.816 2.344 . . . . 0.74 112.331 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.642 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.3 mm? -91.59 124.26 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.239 -0.652 . . . . 1.76 109.239 175.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -86.29 -21.1 27.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.413 0.625 . . . . 3.65 110.165 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -137.11 152.22 49.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.139 -0.937 . . . . 1.57 110.171 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.41 HD11 ' HA ' ' A' ' 330' ' ' ILE . 32.6 mm -81.89 117.1 67.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.187 0.518 . . . . 1.08 111.579 -178.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.512 ' HG2' ' HB1' ' B' ' 1' ' ' ALA . 16.7 Cg_endo -67.7 138.05 44.01 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.857 2.371 . . . . 0.5 112.964 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 23.2 m -96.37 43.93 1.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.835 0.826 . . . . 2.09 110.33 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -155.6 -172.26 22.98 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.132 -0.94 . . . . 0.68 111.296 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 24.5 p -69.5 105.37 2.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.113 0.482 . . . . 1.23 110.604 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.601 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.0 t90 -88.8 143.56 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.33 110.19 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.465 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 91.1 mtt180 -114.11 138.03 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 2.37 111.456 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . 0.435 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 29.4 p -86.95 -175.64 5.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.422 -0.354 . . . . 0.63 110.05 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 1.5 p -55.97 -46.86 78.51 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.9 0.704 . . . . 1.9 112.9 -176.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.0 t -56.95 -42.33 79.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.72 0.295 . . . . 1.87 111.211 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.0 m -65.08 -42.34 94.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.57 111.006 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.2 mt -62.04 -37.08 83.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 1.43 111.118 -176.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -74.52 -13.55 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 2.44 111.092 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -96.21 8.54 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.972 0.415 . . . . 1.57 110.793 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.6 p -124.64 48.93 1.89 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.066 0.46 . . . . 2.87 111.246 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 45.2 t -86.58 -70.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.802 -0.444 . . . . 5.91 109.802 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 50.79 78.1 0.11 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.054 0.846 . . . . 7.44 112.522 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -104.39 154.43 19.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.48 -0.782 . . . . 7.68 109.913 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 33.2 t -89.98 68.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 9.32 109.421 -177.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 63.89 80.3 0.24 Allowed Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.197 -1.365 . . . . 10.92 111.368 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -83.02 164.35 15.38 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.278 1.985 . . . . 12.53 111.508 176.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 351' ' ' ARG . 3.6 tpp180 -54.3 -68.63 0.17 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.219 -0.289 . . . . 15.21 110.219 175.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . 63.01 31.37 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 15.81 110.574 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -114.13 -38.55 4.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.411 -0.813 . . . . 17.69 108.828 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.24 -0.886 . . . . 18.81 109.355 179.118 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.512 ' HB1' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.989 -0.374 . . . . 1.07 109.989 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 1.001 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 24.7 ttm-85 -90.74 73.69 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.85 110.118 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 134.81 47.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.035 -0.529 . . . . 1.41 111.239 -177.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.953 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.2 mtpp -120.48 156.66 31.04 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 1.4 110.38 -176.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -136.79 84.06 2.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.14 -0.689 . . . . 3.51 109.14 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -105.47 -178.86 3.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.908 -0.587 . . . . 1.49 111.437 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.98 132.5 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 1.46 109.75 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.514 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 26.4 mtm180 -84.68 140.3 31.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.986 0.422 . . . . 3.54 110.542 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -100.54 25.29 7.9 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.755 -0.657 . . . . 3.91 109.696 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.535 -0.745 . . . . 4.73 110.201 179.7 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.773 -0.531 . . . . 8.25 111.773 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -115.36 114.27 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 6.65 111.038 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -157.34 124.14 5.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.838 -0.619 . . . . 6.91 109.546 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -89.74 148.06 23.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.785 -0.45 . . . . 3.66 109.785 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 60.01 103.34 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 O-C-N 123.901 0.751 . . . . 5.37 112.192 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . 0.513 ' HE2' ' O ' ' A' ' 295' ' ' ASN . 18.0 tptm -68.18 144.12 55.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.966 -0.561 . . . . 3.84 109.829 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.685 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 2.6 p30 -102.29 136.84 41.4 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.085 -0.507 . . . . 1.99 109.637 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . 0.532 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 58.7 mt-10 -61.84 150.64 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.912 0.387 . . . . 1.11 110.292 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -108.06 4.98 25.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.785 -0.82 . . . . 0.49 108.785 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.65 124.27 18.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.545 -1.207 . . . . 2.53 108.762 177.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 22.7 t -53.38 137.89 34.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.664 -0.698 . . . . 0.21 111.415 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 318' ' ' PHE . . . -62.69 -16.87 59.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 1.11 111.543 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.581 HG12 ' HB3' ' A' ' 322' ' ' CYS . 71.3 t -81.37 -60.86 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.946 -0.57 . . . . 1.06 111.746 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 13.3 p -120.97 3.74 10.49 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.502 0.556 . . . . 0.41 112.502 -173.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 36.1 mmt180 58.1 34.06 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.132 0.573 . . . . 2.95 112.337 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.541 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 37.2 t0 -105.32 164.69 11.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 1.54 109.255 174.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -110.79 -164.5 18.71 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.062 -0.59 . . . . 0.7 111.933 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 113.94 -131.54 9.99 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.846 -0.693 . . . . 0.57 111.891 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.62 83.44 4.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.089 0.471 . . . . 1.91 110.342 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 91.9 mt -89.8 146.79 24.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.327 -0.851 . . . . 1.08 111.811 -177.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . 0.504 HG13 ' HB3' ' B' ' 1' ' ' ALA . 4.6 tt -123.58 107.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.3 -0.863 . . . . 1.05 109.125 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.805 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 41.8 t -98.68 146.63 25.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.271 0.558 . . . . 2.08 111.342 -174.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 38.8 t -74.65 152.14 39.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.125 -0.943 . . . . 0.2 111.352 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.552 ' HA ' HH21 ' B' ' 2' ' ' ARG . 20.3 t70 -60.68 -68.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.72 0.295 . . . . 0.66 111.549 175.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -82.51 -5.07 89.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.937 -0.649 . . . . 0.47 113.66 -172.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 90.9 m -129.22 128.38 23.27 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.985 0.421 . . . . 1.34 110.781 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.45 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 12.8 Cg_endo -57.4 -21.27 44.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 124.041 3.16 . . . . 0.88 113.931 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.532 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 90.7 mtt180 -60.29 127.32 31.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 1.74 112.234 -175.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.36 148.66 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.902 -1.044 . . . . 1.05 108.513 175.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.58 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 40.4 m-85 -131.39 171.83 12.9 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.973 0.416 . . . . 0.26 111.17 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.561 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 37.0 m80 -99.88 146.28 26.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.705 -0.85 . . . . 0.21 108.705 169.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.546 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.6 mt -55.37 -52.45 63.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.852 0.316 . . . . 1.1 111.852 -173.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.12 -23.29 61.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 1.05 111.944 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.581 ' HB3' HG12 ' A' ' 301' ' ' VAL . 83.3 m -75.19 -25.26 58.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.409 -0.359 . . . . 0.21 111.195 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.74 159.94 26.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.957 0.408 . . . . 1.04 111.707 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 33.3 t -139.26 112.27 7.94 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 1.36 109.726 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 8.0 Cg_exo -74.06 140.69 68.7 Favored 'Cis proline' 0 C--O 1.236 0.388 0 C-N-CA 123.901 -1.291 . . . . 0.92 112.07 -0.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.0 Cg_exo -68.31 141.19 50.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.16 2.573 . . . . 0.74 112.696 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.546 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 79.7 mt -90.81 140.28 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.502 -0.772 . . . . 1.76 110.598 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -92.82 -22.82 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 3.65 109.819 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -140.86 165.27 27.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.304 -0.862 . . . . 1.57 110.39 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.464 HD11 ' HA ' ' A' ' 330' ' ' ILE . 25.1 mm -84.35 125.81 71.02 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 1.08 111.833 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.663 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.2 Cg_endo -61.98 138.84 75.81 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.081 2.52 . . . . 0.5 112.733 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 26.2 m -93.26 46.97 1.23 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.689 . . . . 2.09 111.278 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.82 37.57 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.17 -0.772 . . . . 0.68 111.17 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.3 p -66.73 120.71 13.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 1.23 110.665 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -96.06 148.82 22.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.119 -0.491 . . . . 0.33 110.352 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.569 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.1 mtt180 -124.39 133.63 53.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 2.37 110.75 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.4 p -80.14 179.48 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.52 . . . . 0.63 110.747 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.5 p -53.46 -47.14 70.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 1.9 111.849 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 27.5 t -56.42 -42.92 78.83 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.141 -0.481 . . . . 1.87 111.157 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.9 m -61.87 -42.22 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.014 0.435 . . . . 0.57 111.276 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 64.5 mt -73.82 -38.42 64.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 1.43 110.783 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -79.17 -16.33 56.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 2.44 111.445 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -94.12 -2.81 52.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 1.57 111.371 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.8 p -117.28 73.6 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.301 0.572 . . . . 2.87 110.732 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 -36.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.645 -0.707 . . . . 5.91 110.32 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 61.29 88.25 0.09 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.086 -0.507 . . . . 7.44 110.152 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -60.04 134.19 56.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.419 -0.81 . . . . 7.68 111.197 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 348' ' ' VAL . 7.1 p -146.51 72.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 121.946 0.879 . . . . 9.32 111.334 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -101.91 109.49 59.87 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.076 -0.511 . . . . 10.92 109.897 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -89.52 -163.45 0.14 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.353 2.702 . . . . 12.53 111.671 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? 68.93 39.69 1.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.101 0.477 . . . . 15.21 110.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.26 61.77 4.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 15.81 109.355 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.22 129.95 35.7 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.311 -0.859 . . . . 17.69 111.322 -172.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 114.865 -1.062 . . . . 18.81 108.9 178.392 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.663 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.824 -0.435 . . . . 1.07 109.824 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.805 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 40.9 ttm-85 -75.29 77.77 2.39 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.098 0.475 . . . . 0.85 110.205 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 308' ' ' LEU . 8.6 p -81.43 140.53 34.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 1.41 111.392 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.652 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 52.5 mtpt -127.31 147.79 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 1.4 111.139 -176.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -108.5 80.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.336 -0.616 . . . . 3.51 109.336 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -101.85 155.96 17.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.106 -0.497 . . . . 1.49 110.921 -176.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.53 ' O ' ' HE3' ' B' ' 9' ' ' LYS . . . -67.76 137.44 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.819 -0.628 . . . . 1.46 109.8 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -67.19 134.63 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 3.54 110.207 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.53 ' HE3' ' O ' ' B' ' 7' ' ' ALA . 28.1 mmtp -95.16 -46.37 6.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.66 -0.7 . . . . 3.91 109.5 -174.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.245 0.835 0 CA-C-N 114.906 -1.043 . . . . 4.73 112.335 178.775 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.027 -0.429 . . . . 8.25 112.027 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -156.94 95.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.858 0.361 . . . . 6.65 110.833 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.4 tpt -100.36 85.72 3.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.091 0.472 . . . . 6.91 109.974 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -99.63 117.72 34.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 3.66 110.39 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.36 58.21 1.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.269 0.556 . . . . 5.37 109.701 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -137.61 142.24 41.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.621 -0.718 . . . . 3.84 110.155 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.738 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -145.68 133.9 21.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.158 0.504 . . . . 1.99 110.13 175.755 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.68 162.4 23.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.668 . . . . 1.11 110.008 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -104.61 16.37 26.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.49 111.383 -172.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.5 150.64 31.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.294 0.568 . . . . 2.53 110.396 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 53.6 t -73.08 137.29 45.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.869 -1.06 . . . . 0.21 111.305 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.67 -15.63 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.668 -0.696 . . . . 1.11 111.225 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.583 HG13 ' HB3' ' A' ' 322' ' ' CYS . 73.0 t -82.97 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.683 -0.69 . . . . 1.06 111.736 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 15.4 p -109.62 -0.06 18.84 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.203 0.446 . . . . 0.41 112.203 -172.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 63.39 21.9 13.01 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.663 0.385 . . . . 2.95 111.887 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.724 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.5 t70 -102.91 171.56 7.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.121 -0.696 . . . . 1.54 109.121 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.55 -167.68 14.36 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.098 -0.573 . . . . 0.7 112.067 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 117.32 -141.07 16.29 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.851 -0.69 . . . . 0.57 111.797 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.96 87.4 0.37 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.392 0.615 . . . . 1.91 110.372 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.717 ' HB3' ' HB2' ' A' ' 317' ' ' ALA . 62.5 mt -91.84 147.47 22.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.349 -0.841 . . . . 1.08 111.549 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . 0.431 HG13 ' HB1' ' B' ' 1' ' ' ALA . 7.7 tt -120.84 107.19 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.399 -0.963 . . . . 1.05 108.399 171.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.764 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.8 t -98.71 147.9 24.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.417 -0.81 . . . . 2.08 110.758 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.529 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 42.8 t -73.29 150.04 42.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.2 111.102 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -59.6 -67.45 0.38 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.378 -0.374 . . . . 0.66 111.154 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -86.67 6.51 82.45 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.734 -0.746 . . . . 0.47 113.822 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 85.2 m -135.89 128.47 17.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.085 0.442 . . . . 1.34 110.348 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.48 -11.88 33.73 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.064 2.509 . . . . 0.88 113.916 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -62.51 135.77 57.57 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.026 0.441 . . . . 1.74 111.427 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.717 ' HB2' ' HB3' ' A' ' 308' ' ' LEU . . . -114.61 150.11 35.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 1.05 109.15 175.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.478 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.1 m-85 -133.16 168.78 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.724 0.297 . . . . 0.26 110.908 -176.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.619 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 36.5 m80 -97.24 145.27 26.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.258 -0.645 . . . . 0.21 109.258 170.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.655 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.0 mt -52.81 -51.77 59.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.05 0.389 . . . . 1.1 112.05 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.12 -18.68 55.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 1.05 111.813 -174.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.619 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 77.5 m -77.01 -24.88 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.374 . . . . 0.21 110.727 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.42 156.25 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.995 -0.548 . . . . 1.04 111.4 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.8 t -140.49 117.07 7.84 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.33 -0.618 . . . . 1.36 109.33 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.57 134.46 31.12 Favored 'Cis proline' 0 C--N 1.343 0.256 0 C-N-CA 123.481 -1.466 . . . . 0.92 112.051 -0.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.42 141.03 45.45 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.807 2.338 . . . . 0.74 112.539 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.655 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -89.43 126.43 35.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.755 -0.657 . . . . 1.76 109.834 178.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.81 -25.13 38.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.607 . . . . 3.65 109.959 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.36 162.85 34.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.063 -0.971 . . . . 1.57 109.891 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 330' ' ' ILE . 43.2 mm -81.48 123.79 80.71 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.797 -0.638 . . . . 1.08 111.335 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.16 133.63 36.15 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.46 2.107 . . . . 0.5 112.055 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.1 m -87.67 53.19 2.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.251 0.548 . . . . 2.09 110.986 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.19 -168.38 36.29 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.472 -0.651 . . . . 0.68 111.472 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.4 p -65.54 117.51 8.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 1.23 111.143 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.529 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.3 t90 -96.83 145.77 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.448 . . . . 0.33 109.95 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.524 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.9 mtt180 -123.88 136.49 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.903 -0.59 . . . . 2.37 110.914 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.6 p -78.51 176.45 9.4 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.236 -0.438 . . . . 0.63 110.595 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -46.93 65.71 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.224 0.327 . . . . 1.9 111.573 -177.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.9 t -57.52 -43.2 84.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.089 -0.505 . . . . 1.87 111.003 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.4 m -65.62 -41.88 92.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.57 111.314 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.2 -36.54 81.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 1.43 110.633 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -86.95 1.63 52.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 2.44 110.355 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -86.61 13.06 9.2 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.263 0.554 . . . . 1.57 110.104 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 p -71.37 61.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.139 -0.937 . . . . 2.87 111.297 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 54.3 t -52.99 -35.84 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.207 -0.906 . . . . 5.91 110.775 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -129.77 103.93 7.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.825 -0.625 . . . . 7.44 110.586 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.24 -172.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 7.68 110.182 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 58.4 t 53.84 64.81 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 122.216 1.008 . . . . 9.32 109.477 -170.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 350' ' ' PRO . 80.0 mt-30 -75.78 118.69 72.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 114.643 -1.162 . . . . 10.92 110.031 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 349' ' ' GLN . 33.6 Cg_exo -59.5 124.23 15.04 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.373 2.715 . . . . 12.53 113.061 -174.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -76.65 -24.11 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.444 -0.947 . . . . 15.21 108.444 171.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -138.07 130.84 29.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.823 -1.081 . . . . 15.81 108.714 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.401 ' HB2' ' CB ' ' A' ' 350' ' ' PRO . 7.2 tp10 -160.2 145.58 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 17.69 111.02 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.36 -0.828 . . . . 18.81 109.452 172.826 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.837 -0.431 . . . . 1.07 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.764 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.0 ttm-85 -73.55 83.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.85 110.307 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.38 140.26 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.098 0.475 . . . . 1.41 112.055 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.738 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 50.5 mtpt -130.64 140.77 50.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 1.4 110.511 -177.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -80.96 -55.86 4.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.434 -0.58 . . . . 3.51 109.434 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.86 172.36 0.1 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.903 0.859 . . . . 1.49 113.021 167.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.09 144.24 33.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.365 -0.834 . . . . 1.46 108.929 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -81.06 155.95 26.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.889 0.376 . . . . 3.54 111.225 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.724 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 9.8 mmmm -93.8 -1.13 55.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 3.91 110.524 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.607 -0.711 . . . . 4.73 110.358 179.02 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.137 -0.385 . . . . 8.25 112.137 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 57.12 34.32 24.68 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.968 0.507 . . . . 6.65 111.863 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 16.1 tpt 56.91 62.96 2.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.92 0.867 . . . . 6.91 109.993 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -137.68 25.87 2.82 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.217 -0.901 . . . . 3.66 109.248 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -109.16 130.42 55.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.928 -1.033 . . . . 5.37 110.213 -175.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.31 132.09 45.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.222 0.534 . . . . 3.84 110.694 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.663 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -100.7 134.73 43.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.255 -0.884 . . . . 1.99 109.263 176.396 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.37 140.51 52.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.99 -0.55 . . . . 1.11 110.352 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -91.99 5.45 50.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.49 110.61 -173.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.68 133.36 36.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 2.53 109.837 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.627 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 40.4 t -63.05 137.71 58.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.791 -1.095 . . . . 0.21 112.084 -172.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.555 ' HB2' HH11 ' A' ' 316' ' ' ARG . . . -65.37 -16.83 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.42 -0.809 . . . . 1.11 111.403 178.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.63 HG12 ' HB3' ' A' ' 322' ' ' CYS . 97.6 t -81.62 -70.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.876 -0.602 . . . . 1.06 111.33 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.91 -1.61 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.328 0.492 . . . . 0.41 112.328 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.484 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 26.3 mmt180 62.32 26.89 16.09 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.41 0.624 . . . . 2.95 112.18 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -104.6 176.54 5.12 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.337 -0.847 . . . . 1.54 109.174 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . 0.544 ' O ' ' HG2' ' B' ' 8' ' ' ARG . . . -117.76 -173.06 16.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.131 -1.033 . . . . 0.7 111.599 -176.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.564 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 120.66 -125.53 6.27 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.767 -0.73 . . . . 0.57 113.081 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -78.64 85.21 4.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 1.91 110.196 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -99.23 140.89 32.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.518 -0.764 . . . . 1.08 111.76 -174.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 11.2 tt -123.98 123.52 66.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.231 -0.895 . . . . 1.05 108.698 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.628 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 50.0 t -112.08 144.38 41.53 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.99 -0.55 . . . . 2.08 110.393 -170.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.751 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 21.1 t -74.43 150.75 39.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.785 . . . . 0.2 111.027 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.585 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 29.3 t70 -60.13 -67.01 0.43 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.525 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.44 -11.25 71.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.004 0.762 . . . . 0.47 115.004 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.661 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 12.9 p -134.48 133.85 21.91 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 118.517 1.158 . . . . 1.34 110.782 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.56 -10.44 21.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.715 2.943 . . . . 0.88 113.978 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.555 HH11 ' HB2' ' A' ' 300' ' ' ALA . 49.8 mtt180 -62.43 138.19 58.41 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.937 0.398 . . . . 1.74 111.372 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -121.6 149.66 42.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.105 -0.702 . . . . 1.05 109.105 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.627 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 59.1 m-85 -132.36 167.93 19.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.872 0.368 . . . . 0.26 110.849 -173.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 51.4 m80 -96.87 146.34 25.02 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.601 -0.889 . . . . 0.21 108.601 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 81.8 mt -54.4 -51.4 64.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.765 0.257 . . . . 1.1 111.189 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.95 -18.69 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 1.05 112.012 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.63 ' HB3' HG12 ' A' ' 301' ' ' VAL . 88.5 m -77.57 -23.47 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.75 0.31 . . . . 0.21 111.093 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.9 153.02 44.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 1.04 111.087 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 2.9 p -139.09 111.06 7.87 Favored Pre-proline 0 N--CA 1.434 -1.258 0 CA-C-N 115.628 -0.714 . . . . 1.36 110.071 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.57 139.55 59.82 Favored 'Cis proline' 0 C--O 1.234 0.305 0 C-N-CA 123.668 -1.388 . . . . 0.92 112.479 -0.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -67.84 147.26 74.53 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.072 2.514 . . . . 0.74 112.897 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.426 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 93.5 mt -92.73 130.93 38.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.589 -0.732 . . . . 1.76 110.324 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -87.71 -22.17 24.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.213 0.53 . . . . 3.65 110.137 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.76 162.39 37.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.617 -0.72 . . . . 1.57 110.062 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 45.6 mm -79.85 117.94 69.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.008 -0.542 . . . . 1.08 111.083 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.409 ' HG2' ' CD1' ' A' ' 335' ' ' TRP . 53.4 Cg_exo -49.36 141.17 25.47 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.869 3.046 . . . . 0.5 113.093 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 16.2 m -94.72 32.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 2.09 111.129 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -170.46 -164.24 25.85 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.827 -0.701 . . . . 0.68 111.877 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.6 p -64.72 110.2 2.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 1.23 111.398 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.446 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -97.05 145.46 25.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.33 110.724 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.751 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.8 mtt180 -123.39 141.17 52.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 2.37 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.63 173.11 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.63 109.271 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 8.0 m -54.45 -45.95 73.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 1.9 110.953 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 21.8 t -60.6 -43.82 96.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.216 -0.447 . . . . 1.87 110.936 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.5 m -65.31 -40.53 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.447 -0.342 . . . . 0.57 111.609 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.38 -37.29 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 1.43 109.817 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -79.23 -3.22 44.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.883 . . . . 2.44 111.084 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -88.79 3.05 52.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.283 0.563 . . . . 1.57 110.02 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.641 HG23 ' HA ' ' A' ' 348' ' ' VAL . 0.3 OUTLIER -101.29 166.0 10.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.679 -0.692 . . . . 2.87 109.804 176.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . 0.42 HG13 ' HG3' ' A' ' 346' ' ' GLN . 21.9 t -78.6 -78.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.998 0.428 . . . . 5.91 111.118 -173.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.42 ' HG3' HG13 ' A' ' 345' ' ' VAL . 37.8 mt-30 -126.88 -37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 7.44 110.096 -178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -122.7 161.96 22.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.128 -1.064 . . . . 7.68 108.128 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . 0.641 ' HA ' HG23 ' A' ' 344' ' ' THR . 8.9 p -86.78 24.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.959 0.885 . . . . 9.32 110.064 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . 0.46 ' HA ' ' HD3' ' A' ' 350' ' ' PRO . 23.9 pt20 -148.9 122.91 4.71 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.389 -0.823 . . . . 10.92 110.684 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 349' ' ' GLN . 10.0 Cg_endo -91.11 113.33 0.39 Allowed 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.515 2.81 . . . . 12.53 110.698 174.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -106.07 -50.44 3.17 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.492 -0.483 . . . . 15.21 110.4 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -130.57 72.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.739 -0.664 . . . . 15.81 111.054 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.14 72.62 0.26 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.713 0.768 . . . . 17.69 111.988 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--O 1.252 1.198 0 CA-C-N 115.101 -0.954 . . . . 18.81 110.065 -175.665 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.099 -0.334 . . . . 1.07 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.663 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 31.7 ttm-85 -67.38 138.72 56.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 107.636 -1.246 . . . . 0.85 107.636 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.63 148.73 49.09 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.014 -0.674 . . . . 1.41 110.999 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.612 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.2 mtpp -135.64 140.06 44.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 1.4 109.771 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -116.55 84.63 2.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 3.51 110.266 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.511 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 17.1 p -99.72 -179.06 4.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.462 -0.79 . . . . 1.49 110.282 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.89 135.36 33.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.732 -0.47 . . . . 1.46 109.732 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.564 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 53.9 mtm180 -71.95 101.55 2.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.259 0.552 . . . . 3.54 111.033 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.62 136.51 58.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.141 -0.936 . . . . 3.91 110.936 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.622 -0.704 . . . . 4.73 109.466 178.825 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.098 -0.401 . . . . 8.25 112.098 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -77.94 65.23 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.498 0.666 . . . . 6.65 110.453 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -130.94 158.17 40.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.247 -0.888 . . . . 6.91 109.997 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -157.31 10.53 0.2 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.984 0.421 . . . . 3.66 110.444 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 61.35 -179.71 0.11 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.271 -0.877 . . . . 5.37 110.84 -173.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -135.39 139.91 44.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.876 -0.602 . . . . 3.84 109.582 177.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.733 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -131.08 132.35 44.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.965 -0.754 . . . . 1.99 108.965 173.647 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -87.22 138.15 31.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.527 -0.761 . . . . 1.11 110.839 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.75 35.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.899 -0.591 . . . . 0.49 111.704 -172.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -155.95 143.15 19.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.585 0.707 . . . . 2.53 110.578 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.9 t -72.29 136.81 46.36 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.713 -1.13 . . . . 0.21 110.754 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.439 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -64.57 -15.46 61.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 1.11 111.464 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.576 HG12 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -81.95 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 1.06 111.496 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.4 p -110.43 6.05 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.28 0.474 . . . . 0.41 112.28 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 303' ' ' ARG . 28.9 mmt180 58.36 31.18 20.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.3 0.572 . . . . 2.95 111.872 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.537 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 55.8 t0 -111.65 159.68 17.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.471 -0.786 . . . . 1.54 109.195 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -111.08 -160.14 16.52 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.996 -0.621 . . . . 0.7 111.986 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.462 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 109.51 -123.91 7.02 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.419 -0.896 . . . . 0.57 112.222 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.43 79.22 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.576 0.703 . . . . 1.91 110.523 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.645 ' HB3' ' HB3' ' A' ' 317' ' ' ALA . 64.7 mt -90.41 153.0 20.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 1.08 112.281 -175.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . 0.416 HG13 ' HB3' ' B' ' 1' ' ' ALA . 5.7 tt -127.39 113.18 30.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.734 -1.121 . . . . 1.05 108.57 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.694 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 49.6 t -102.99 146.39 28.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.078 -0.51 . . . . 2.08 110.854 -173.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.733 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.2 t -75.55 152.3 37.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.451 -0.795 . . . . 0.2 111.43 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.627 ' HA ' HH21 ' B' ' 2' ' ' ARG . 34.5 t70 -60.71 -66.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.15 -0.477 . . . . 0.66 111.1 173.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.0 -16.54 76.66 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 114.949 0.74 . . . . 0.47 114.949 -171.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 30.1 p -134.39 133.75 21.91 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 117.978 0.889 . . . . 1.34 111.12 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 36.8 Cg_exo -62.25 -6.74 8.8 Favored 'Trans proline' 0 N--CA 1.477 0.532 0 C-N-CA 124.087 3.192 . . . . 0.88 114.308 -174.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . 0.439 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 74.0 mtt180 -63.84 130.02 42.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.003 0.43 . . . . 1.74 111.13 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.645 ' HB3' ' HB3' ' A' ' 308' ' ' LEU . . . -109.93 158.34 18.32 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.639 -0.874 . . . . 1.05 108.639 172.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.527 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 35.1 m-85 -139.45 171.48 14.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.856 0.36 . . . . 0.26 110.914 -176.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.537 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 45.2 m80 -99.15 145.88 26.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.664 -0.865 . . . . 0.21 108.664 168.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.581 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 64.2 mt -54.56 -53.34 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.81 0.338 . . . . 1.1 111.832 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.27 58.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 1.05 111.742 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.576 ' HB3' HG12 ' A' ' 301' ' ' VAL . 72.3 m -77.77 -23.55 49.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.356 -0.383 . . . . 0.21 111.465 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.591 HD11 HD22 ' A' ' 327' ' ' LEU . 23.8 mt -63.36 159.42 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.487 . . . . 1.04 112.076 177.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 32.0 t -139.33 111.87 7.83 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 115.767 -0.652 . . . . 1.36 109.443 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.475 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.4 Cg_exo -69.31 143.99 74.48 Favored 'Cis proline' 0 C--N 1.345 0.346 0 C-N-CA 123.693 -1.378 . . . . 0.92 112.11 -2.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.0 Cg_exo -71.03 135.53 27.65 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.004 2.47 . . . . 0.74 112.235 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.591 HD22 HD11 ' A' ' 323' ' ' LEU . 4.4 mm? -89.07 126.38 35.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.087 -0.506 . . . . 1.76 110.034 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -90.15 -19.61 24.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.365 0.602 . . . . 3.65 110.429 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.74 149.17 43.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 1.57 110.041 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 38.5 mm -76.33 120.16 80.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.464 . . . . 1.08 111.168 -178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -58.32 137.0 78.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.376 2.718 . . . . 0.5 112.44 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 49.1 m -95.55 47.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.763 -0.653 . . . . 2.09 110.535 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.78 -168.18 35.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.752 -0.658 . . . . 0.68 111.806 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.86 116.84 7.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.442 . . . . 1.23 111.15 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -99.95 147.14 25.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.255 -0.43 . . . . 0.33 111.109 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.733 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 63.6 mtt180 -126.0 136.62 53.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 2.37 110.45 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -69.59 172.2 7.74 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.551 -0.295 . . . . 0.63 110.87 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.8 m -55.06 -42.52 72.84 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.901 0.381 . . . . 1.9 110.885 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.2 m -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 1.87 111.177 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 73.5 m -66.51 -42.6 87.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.264 -0.426 . . . . 0.57 110.938 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -30.04 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 1.43 110.802 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.31 -15.37 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 2.44 110.49 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.62 38.8 0.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.085 0.469 . . . . 1.57 110.21 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.29 75.41 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.099 -0.955 . . . . 2.87 112.993 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 19.1 t -93.24 -4.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.97 0.891 . . . . 5.91 109.04 172.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.05 93.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.941 -1.027 . . . . 7.44 110.6 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . 0.403 ' HG3' HG21 ' A' ' 348' ' ' VAL . 8.5 tp10 -57.52 144.42 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 7.68 110.469 175.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . 0.403 HG21 ' HG3' ' A' ' 347' ' ' GLU . 96.9 t 61.36 86.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.488 0.661 . . . . 9.32 110.563 -175.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -58.87 144.53 81.29 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.125 -0.943 . . . . 10.92 110.021 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.93 114.37 1.89 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.966 2.444 . . . . 12.53 112.102 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -91.51 89.66 7.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.653 -0.703 . . . . 15.21 110.15 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.75 78.24 9.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.447 -0.575 . . . . 15.81 109.447 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -85.84 -42.86 13.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.541 -0.754 . . . . 17.69 109.368 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.246 0.903 0 CA-C-N 114.985 -1.007 . . . . 18.81 108.809 175.524 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.416 ' HB3' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.706 -0.479 . . . . 1.07 109.706 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 43.8 ttm-85 -77.79 76.18 4.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 0.85 110.207 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -77.35 146.76 36.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.188 0.518 . . . . 1.41 111.693 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.733 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.7 mtpp -131.52 131.94 43.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.655 -0.702 . . . . 1.4 110.076 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -103.28 72.27 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.255 0.55 . . . . 3.51 109.625 174.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.462 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 32.3 p -95.63 174.47 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.866 -0.606 . . . . 1.49 111.282 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.23 136.26 37.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.489 -0.56 . . . . 1.46 109.489 174.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -68.4 148.73 50.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.864 0.364 . . . . 3.54 110.372 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -100.96 60.85 0.95 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.206 -0.452 . . . . 3.91 109.911 -174.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.422 -0.799 . . . . 4.73 110.223 179.432 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.952 0 N-CA-C 111.55 -0.62 . . . . 8.25 111.55 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.55 22.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 6.65 111.408 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 65.9 mtt -111.52 147.31 35.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 6.91 109.921 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -154.55 151.85 29.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.416 . . . . 3.66 110.431 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -73.7 174.8 7.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.354 -0.61 . . . . 5.37 109.354 175.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -127.07 130.85 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.085 -0.384 . . . . 3.84 110.231 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.757 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.5 OUTLIER -132.85 136.38 46.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.99 -0.55 . . . . 1.99 109.825 -179.119 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.19 137.7 48.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.192 -0.458 . . . . 1.11 110.24 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.6 m-20 -89.73 13.24 14.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.272 0.558 . . . . 0.49 109.657 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 0.42 ' HB3' ' C ' ' A' ' 303' ' ' ARG . 6.6 mp0 -132.43 145.61 51.33 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.284 -0.871 . . . . 2.53 108.723 174.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 43.2 t -70.96 138.96 50.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.468 -0.787 . . . . 0.21 110.781 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.416 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -62.71 -22.22 66.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.424 . . . . 1.11 111.3 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.555 HG12 ' HB3' ' A' ' 322' ' ' CYS . 77.6 t -75.74 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.901 -0.59 . . . . 1.06 111.538 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -118.17 2.56 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.804 0.668 . . . . 0.41 112.804 -172.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . 0.42 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 26.1 mmm180 57.14 29.77 17.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.155 0.582 . . . . 2.95 111.27 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.594 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 6.4 t0 -99.19 165.71 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.457 -0.942 . . . . 1.54 108.457 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.31 -170.41 15.71 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.724 -0.751 . . . . 0.7 112.252 -175.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.608 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 112.71 -119.36 4.9 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.463 -0.875 . . . . 0.57 112.596 177.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.81 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.76 0.791 . . . . 1.91 110.115 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.879 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 86.2 mt -106.23 150.95 25.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.519 -1.219 . . . . 1.08 111.703 -172.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.0 tt -131.88 114.51 24.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.306 -0.861 . . . . 1.05 108.811 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.785 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.7 t -103.12 147.37 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.964 -0.562 . . . . 2.08 110.972 -172.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.0 t -74.43 152.15 39.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.423 -0.808 . . . . 0.2 111.014 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.412 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.3 t70 -60.2 -68.22 0.31 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.431 -0.349 . . . . 0.66 111.221 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.24 -2.85 90.39 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.059 -0.591 . . . . 0.47 113.994 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 75.9 m -129.97 129.89 23.06 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 117.207 0.504 . . . . 1.34 110.447 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.92 -9.04 23.44 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 123.228 2.619 . . . . 0.88 113.643 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -62.41 131.63 49.88 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.896 0.379 . . . . 1.74 111.183 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -112.66 153.96 26.84 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.814 -0.81 . . . . 1.05 108.814 172.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.569 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 47.4 m-85 -135.78 163.44 30.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.75 0.31 . . . . 0.26 111.131 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.594 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 40.3 m80 -93.51 147.05 23.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.926 -0.768 . . . . 0.21 108.926 169.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.451 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.2 mt -55.95 -54.37 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.679 0.276 . . . . 1.1 111.351 -173.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -72.42 -23.27 61.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 1.05 112.178 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.555 ' HB3' HG12 ' A' ' 301' ' ' VAL . 81.6 m -76.0 -22.39 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.21 110.861 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.511 HD13 HD21 ' A' ' 327' ' ' LEU . 20.1 mt -71.49 156.9 38.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.311 0.577 . . . . 1.04 111.59 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 18.7 t -140.39 110.33 6.92 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 108.572 -0.899 . . . . 1.36 108.572 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.4 Cg_endo -74.26 144.4 80.86 Favored 'Cis proline' 0 C--O 1.233 0.231 0 C-N-CA 123.251 -1.562 . . . . 0.92 112.626 2.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.9 Cg_exo -71.94 127.73 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.82 2.347 . . . . 0.74 112.018 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.511 HD21 HD13 ' A' ' 323' ' ' LEU . 4.0 mm? -79.02 124.35 28.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.157 -0.474 . . . . 1.76 110.243 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . 0.588 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 15.2 ptm180 -74.86 -25.52 59.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 3.65 110.756 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . 0.588 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 5.1 pt-20 -157.15 160.47 38.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.545 -0.752 . . . . 1.57 110.054 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 330' ' ' ILE . 28.1 mm -69.44 125.68 92.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 112.714 0.635 . . . . 1.08 112.714 -172.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . 0.768 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 19.6 Cg_endo -64.46 142.65 79.33 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.486 2.791 . . . . 0.5 112.178 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 14.8 m -96.07 36.63 1.3 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.907 -0.588 . . . . 2.09 111.453 -172.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -164.43 -165.85 22.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.655 -0.783 . . . . 0.68 111.833 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 2.0 p -65.19 109.8 2.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.45 . . . . 1.23 110.913 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.483 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.6 t90 -92.13 141.21 28.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.33 110.028 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.504 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 69.6 mtt85 -119.17 132.9 56.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.739 -0.664 . . . . 2.37 111.025 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.3 -179.3 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.381 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.7 p -53.2 -46.74 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 1.9 111.9 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 4.8 m -54.22 -47.85 71.7 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.126 -0.488 . . . . 1.87 111.392 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 71.6 m -66.23 -42.54 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.57 111.115 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.91 -31.54 72.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.176 0.512 . . . . 1.43 110.602 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -71.55 -23.24 61.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.606 -0.725 . . . . 2.44 110.949 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . 0.401 ' C ' ' HG1' ' A' ' 344' ' ' THR . . . -115.0 13.96 17.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.383 -0.371 . . . . 1.57 111.412 -175.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' THR . . . . . 0.401 ' HG1' ' C ' ' A' ' 343' ' ' ALA . 43.3 p 53.51 -162.72 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.443 0.697 . . . . 2.87 111.794 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . 0.405 HG11 ' HG2' ' A' ' 346' ' ' GLN . 41.7 t -58.81 -68.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 5.91 110.902 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.405 ' HG2' HG11 ' A' ' 345' ' ' VAL . 85.2 mm-40 -142.59 -78.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.28 -0.637 . . . . 7.44 109.28 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -150.5 137.79 19.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.915 -0.772 . . . . 7.68 108.915 172.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.09 61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.43 0.633 . . . . 9.32 109.844 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -144.44 119.37 5.95 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.745 . . . . 10.92 110.938 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.53 151.55 47.48 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.411 2.074 . . . . 12.53 110.534 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -129.66 128.34 42.4 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.684 -0.406 . . . . 15.21 110.263 -177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.95 112.53 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.81 110.856 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . 0.407 ' HB3' ' H ' ' A' ' 354' ' ' GLU . 0.9 OUTLIER 178.39 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.973 -1.121 . . . . 17.69 107.973 -176.779 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . 0.407 ' H ' ' HB3' ' A' ' 353' ' ' GLU . 29.2 tt0 . . . . . 0 C--O 1.25 1.126 0 O-C-N 124.613 1.196 . . . . 18.81 112.741 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.768 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.999 -0.371 . . . . 1.07 109.999 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.785 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -80.92 69.2 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.401 -0.592 . . . . 0.85 109.401 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.45 141.27 48.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.57 -0.741 . . . . 1.41 111.36 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.879 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.0 mtpp -130.24 136.18 48.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 1.4 109.827 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -115.49 82.66 1.79 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.174 -0.676 . . . . 3.51 109.174 171.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.514 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 40.1 p -102.3 -168.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.951 -0.568 . . . . 1.49 111.08 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.68 131.14 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.345 -0.389 . . . . 1.46 110.741 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.608 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 18.6 mtm180 -71.95 148.34 46.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.858 -0.61 . . . . 3.54 110.514 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -104.16 8.68 36.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.576 -0.898 . . . . 3.91 108.576 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.249 1.04 0 CA-C-N 114.656 -1.156 . . . . 4.73 110.773 -178.261 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.782 -0.527 . . . . 8.25 111.782 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -84.27 94.88 8.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.083 0.468 . . . . 6.65 110.259 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 95.6 mmm -92.41 92.34 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.007 -0.542 . . . . 6.91 110.722 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -98.76 3.78 47.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.291 -0.633 . . . . 3.66 109.291 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.05 142.49 57.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.986 -1.006 . . . . 5.37 110.138 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -134.11 120.39 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 3.84 111.046 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 295' ' ' ASN . . . . . 0.776 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.8 OUTLIER -139.57 136.08 34.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.617 -0.512 . . . . 1.99 109.617 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.12 141.99 31.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.392 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 297' ' ' ASP . . . . . 0.537 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 7.2 m-20 -91.02 35.36 0.91 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.072 0.463 . . . . 0.49 111.088 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.34 144.72 29.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.46 0.648 . . . . 2.53 110.29 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 299' ' ' CYS . . . . . 0.699 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.0 t -77.91 137.29 38.27 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.807 -1.088 . . . . 0.21 110.34 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ALA . . . . . 0.441 ' HB2' ' CE2' ' A' ' 318' ' ' PHE . . . -65.85 -16.83 64.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 1.11 111.068 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' VAL . . . . . 0.614 HG11 ' HB3' ' A' ' 322' ' ' CYS . 82.1 t -80.81 -61.17 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 1.06 112.006 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 8.4 p -120.79 9.31 10.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.733 0.642 . . . . 0.41 112.733 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 59.83 28.15 17.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.06 0.457 . . . . 2.95 111.582 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' ASP . . . . . 0.532 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 52.0 t0 -107.0 167.04 10.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 1.54 109.819 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -118.8 -167.96 14.01 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.426 -0.67 . . . . 0.7 111.426 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 306' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 114.98 -119.15 4.54 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.365 -0.921 . . . . 0.57 111.814 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.2 82.89 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.869 0.366 . . . . 1.91 110.077 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 308' ' ' LEU . . . . . 0.889 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -99.5 144.39 28.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 1.08 111.607 -175.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.5 tt -127.98 112.26 26.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.395 -0.82 . . . . 1.05 109.086 172.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 310' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 44.3 t -96.47 139.15 33.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.636 . . . . 2.08 111.247 -173.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 311' ' ' CYS . . . . . 0.698 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 36.3 t -75.23 146.79 40.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.727 -1.124 . . . . 0.2 111.086 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 312' ' ' ASP . . . . . 0.623 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.8 t70 -61.86 -64.92 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.66 110.965 174.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.52 -27.96 55.14 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.734 -0.666 . . . . 0.47 114.606 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 29.5 p -136.41 133.0 19.06 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 117.587 0.694 . . . . 1.34 110.262 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.63 0.42 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.378 2.719 . . . . 0.88 113.942 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -60.28 140.12 57.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 1.74 110.619 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 317' ' ' ALA . . . . . 0.699 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -116.99 157.14 26.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.653 -0.869 . . . . 1.05 108.653 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 318' ' ' PHE . . . . . 0.542 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.3 m-85 -137.1 171.37 14.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.494 0.188 . . . . 0.26 110.57 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 319' ' ' HIS . . . . . 0.551 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 53.6 m80 -100.59 146.06 27.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.017 -0.735 . . . . 0.21 109.017 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 320' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.8 mt -55.85 -51.83 66.17 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.662 0.245 . . . . 1.1 111.662 -173.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.69 -19.84 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.266 0.469 . . . . 1.05 112.266 -176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 322' ' ' CYS . . . . . 0.614 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -78.26 -24.45 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.21 110.859 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 323' ' ' LEU . . . . . 0.4 HD23 ' CG ' ' A' ' 318' ' ' PHE . 75.6 mt -70.76 154.26 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.312 -0.404 . . . . 1.04 111.245 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 t -140.32 117.34 8.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.34 -0.615 . . . . 1.36 109.34 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.25 135.68 38.04 Favored 'Cis proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.36 -1.517 . . . . 0.92 112.063 -2.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -63.63 147.15 92.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.22 2.613 . . . . 0.74 113.006 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -95.67 127.37 41.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.63 . . . . 1.76 109.793 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -87.75 -20.89 25.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.445 0.64 . . . . 3.65 110.3 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -137.69 153.67 49.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 1.57 110.345 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' ILE . . . . . 0.4 ' CD1' HD21 ' A' ' 320' ' ' LEU . 31.1 mm -80.16 117.68 68.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.074 -0.512 . . . . 1.08 110.942 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.06 142.95 47.96 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.67 2.247 . . . . 0.5 112.604 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 36.6 m -103.28 106.85 17.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.873 -0.603 . . . . 2.09 109.728 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.54 -169.76 25.02 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.008 -0.837 . . . . 0.68 111.008 -173.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 p -77.22 106.72 9.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.292 0.568 . . . . 1.23 111.003 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' TRP . . . . . 0.498 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.6 t90 -92.85 143.89 25.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.873 -0.603 . . . . 0.33 109.719 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' ARG . . . . . 0.698 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.6 mtt180 -126.68 140.49 52.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.928 0.394 . . . . 2.37 111.024 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 18.5 p -76.65 177.68 7.33 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.933 -0.576 . . . . 0.63 109.973 177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 7.8 p -56.53 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.625 0.25 . . . . 1.9 111.474 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.0 t -58.94 -42.55 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 1.87 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' CYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 89.2 m -65.81 -40.52 91.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.646 -0.252 . . . . 0.57 111.495 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.73 -40.21 91.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 1.43 110.55 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 342' ' ' GLN . 35.4 tt0 -88.13 17.56 4.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.544 0.687 . . . . 2.44 110.268 178.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -81.7 -4.1 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 1.57 109.59 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.9 p -93.05 143.1 26.57 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.687 -0.857 . . . . 2.87 108.687 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 3.4 t -106.86 -1.44 9.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.379 0.609 . . . . 5.91 110.158 -172.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -69.32 -41.78 76.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 7.44 110.208 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.64 123.07 22.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 7.68 110.278 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.03 68.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.492 1.139 . . . . 9.32 110.23 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -109.31 123.5 36.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.096 -0.957 . . . . 10.92 111.054 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.44 149.43 39.53 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.744 2.296 . . . . 12.53 112.223 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -76.15 82.32 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 15.21 111.047 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -167.72 159.37 11.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.936 -0.575 . . . . 15.81 110.773 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 64.59 172.42 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.053 0.846 . . . . 17.69 112.636 176.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.355 -0.839 . . . . 18.81 109.119 -175.336 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.933 -0.395 . . . . 1.07 109.933 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.631 ' HD2' HD21 ' A' ' 295' ' ' ASN . 11.2 ttp180 -75.11 84.31 2.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.324 0.583 . . . . 0.85 109.678 -176.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 142.9 29.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 1.41 111.257 -171.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.889 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.4 mtpp -126.32 131.35 51.86 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.948 -0.569 . . . . 1.4 110.6 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -109.37 73.68 0.86 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.373 -0.603 . . . . 3.51 109.373 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.427 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 81.7 p -97.6 177.1 5.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 1.49 110.362 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.84 137.42 34.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.572 -0.529 . . . . 1.46 109.572 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.39 143.71 57.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 3.54 110.596 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -87.04 -13.83 43.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 3.91 109.467 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.441 -0.8 . . . . 4.73 109.844 173.768 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.753 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.664 -0.495 . . . . 1.25 109.664 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.0 136.57 48.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.749 -0.659 . . . . 1.11 110.531 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -87.16 0.93 54.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.215 -0.661 . . . . 0.49 109.215 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -125.44 138.08 54.0 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.543 -0.91 . . . . 2.53 108.543 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.631 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 33.5 t -66.05 138.7 57.95 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.261 -0.427 . . . . 0.21 111.293 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -66.36 -15.39 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.519 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 322' ' ' CYS . 87.5 t -81.54 -61.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.566 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.84 6.98 10.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.447 0.536 . . . . 0.34 112.447 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 24.8 mmm180 54.26 34.66 20.93 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.271 0.628 . . . . 2.38 111.584 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.584 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 19.0 t0 -102.74 166.16 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.125 -0.695 . . . . 1.54 109.125 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -109.17 -166.4 20.45 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.443 -0.884 . . . . 0.7 111.068 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 105.19 -125.74 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.4 112.696 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.18 88.47 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.322 0.582 . . . . 1.91 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.6 mt -104.11 147.74 27.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.361 -0.836 . . . . 0.24 111.564 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.413 HG13 ' HB1' ' B' ' 1' ' ' ALA . 9.6 tt -130.31 111.23 20.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.59 -0.893 . . . . 0.21 108.59 173.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -100.43 147.23 26.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 1.36 111.372 -171.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.4 t -74.94 151.6 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.847 -1.069 . . . . 0.2 111.5 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.714 ' HA ' HH21 ' B' ' 2' ' ' ARG . 22.3 t70 -60.76 -68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.144 -0.48 . . . . 0.66 111.065 175.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -79.79 -12.57 83.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.986 -0.626 . . . . 0.37 113.972 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 100.0 m -122.33 131.03 24.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 117.22 0.51 . . . . 1.34 110.754 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.83 -13.07 37.3 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.468 2.778 . . . . 0.52 113.857 -174.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -60.02 134.25 56.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.124 0.488 . . . . 1.3 111.598 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.92 147.43 39.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.264 -0.88 . . . . 0.14 108.641 171.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 44.5 m-85 -129.69 164.64 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 121.054 -0.258 . . . . 0.21 111.008 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.584 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 37.9 m80 -89.34 146.12 24.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.413 -0.588 . . . . 0.18 109.413 170.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.66 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 78.6 mt -52.33 -55.71 19.72 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.462 0.476 . . . . 0.27 111.484 -174.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.45 -26.03 59.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.2 112.346 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.58 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.4 m -72.06 -24.07 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.693 0.283 . . . . 0.21 111.293 -177.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 323' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 327' ' ' LEU . 25.8 mt -66.33 159.18 27.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.284 0.564 . . . . 0.2 112.181 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 40.6 t -139.74 108.2 7.09 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.338 -0.846 . . . . 0.93 109.415 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 13.5 Cg_exo -70.97 144.62 79.8 Favored 'Cis proline' 0 C--N 1.344 0.304 0 C-N-CA 123.747 -1.356 . . . . 0.61 112.599 0.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 8.0 Cg_exo -70.1 133.72 25.58 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.996 2.464 . . . . 0.42 112.551 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.66 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.0 mm? -79.66 131.4 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 1.03 109.342 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -100.5 -19.39 16.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.9 0.857 . . . . 3.15 108.904 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.71 151.2 36.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.383 -1.281 . . . . 1.57 109.55 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.477 ' HA ' ' HD3' ' A' ' 331' ' ' PRO . 39.8 mm -74.56 129.16 84.39 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.239 -0.437 . . . . 0.28 111.65 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 330' ' ' ILE . 1.3 Cg_endo -82.26 136.51 8.95 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.756 2.971 . . . . 0.29 112.802 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.3 t -92.65 113.56 25.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.067 -0.515 . . . . 1.66 109.651 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.05 -167.29 25.73 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.699 -0.762 . . . . 0.46 111.64 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.5 p -84.9 102.66 13.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.049 0.452 . . . . 0.58 109.917 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.455 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.0 t90 -85.65 143.05 28.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.729 -0.668 . . . . 0.29 110.229 -176.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.672 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.9 mtt180 -125.87 138.0 53.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 1.99 110.637 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.3 p -68.04 171.84 6.36 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.379 -0.373 . . . . 0.63 110.626 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 15.4 m -57.64 -42.24 83.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.519 0.199 . . . . 1.47 111.453 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.1 t -58.01 -42.67 85.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 1.67 110.756 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 87.8 m -64.5 -42.39 95.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.57 111.365 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 121.107 0.479 . . . . 0.85 110.682 -178.679 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.413 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.898 -0.408 . . . . 0.29 109.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.714 HH21 ' HA ' ' A' ' 312' ' ' ASP . 40.9 ttm-85 -80.23 67.03 5.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.261 -0.644 . . . . 0.69 109.261 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -75.72 142.31 42.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.577 -0.738 . . . . 0.95 111.363 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.753 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.0 mtpp . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.75 109.328 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.728 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 109.763 -0.458 . . . . 1.25 109.763 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 148.87 51.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.968 0.413 . . . . 1.11 110.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -92.24 1.9 56.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.751 -0.833 . . . . 0.49 108.751 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 134.21 52.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.294 -0.866 . . . . 2.53 108.764 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 38.4 t -66.42 138.4 57.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.173 -0.467 . . . . 0.21 110.633 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.536 ' HA ' HH11 ' A' ' 303' ' ' ARG . . . -65.24 -16.47 63.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.31 111.348 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 322' ' ' CYS . 86.7 t -82.23 -63.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.962 -0.563 . . . . 0.31 111.527 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.69 3.97 13.99 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.128 0.418 . . . . 0.34 112.128 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.536 HH11 ' HA ' ' A' ' 300' ' ' ALA . 29.5 mmm180 56.7 32.69 21.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.372 0.669 . . . . 2.38 111.8 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.421 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.7 t70 -105.81 -179.88 4.07 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.216 -0.661 . . . . 1.54 109.216 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -124.63 -179.25 15.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.657 . . . . 0.7 112.02 -175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.68 -126.28 6.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.624 -0.798 . . . . 0.4 112.186 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -75.96 88.24 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.864 0.364 . . . . 1.91 110.263 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 91.6 mt -102.16 145.76 28.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.475 0.655 . . . . 0.24 112.128 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.6 tt -128.49 115.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.019 -0.992 . . . . 0.21 109.469 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.812 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -102.03 147.11 26.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.271 0.558 . . . . 1.36 111.07 -173.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.634 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 53.2 t -75.24 154.83 37.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.066 -0.97 . . . . 0.2 111.3 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.46 ' HA ' HH21 ' B' ' 2' ' ' ARG . 21.2 t70 -60.58 -69.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.746 0.276 . . . . 0.66 111.746 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -84.89 1.92 88.56 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.907 -0.663 . . . . 0.37 113.722 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 71.5 m -131.94 127.83 21.3 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.469 . . . . 1.34 110.742 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.83 -10.82 28.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.17 2.58 . . . . 0.52 113.482 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 316' ' ' ARG . 63.5 mtt85 -60.48 130.25 45.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.82 0.343 . . . . 1.3 111.073 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.7 154.38 23.94 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.811 -0.811 . . . . 0.14 108.811 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.533 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.8 m-85 -133.48 166.15 23.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.775 0.322 . . . . 0.21 111.166 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -96.53 146.43 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.804 -0.813 . . . . 0.18 108.804 169.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.91 -51.38 69.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.757 0.28 . . . . 0.27 111.757 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.84 -19.8 60.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.379 . . . . 0.2 111.817 -176.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.555 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.9 m -79.19 -19.36 51.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 0.21 111.001 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.72 156.27 39.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.09 0.471 . . . . 0.2 111.038 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 31.9 t -139.64 108.79 7.21 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 0.93 109.414 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 9.1 Cg_exo -73.91 144.27 80.47 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.961 -1.266 . . . . 0.61 112.702 0.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.54 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 8.2 Cg_exo -70.04 133.34 24.82 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.368 2.712 . . . . 0.42 112.519 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.95 129.76 34.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 1.03 110.668 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.878 ' HG2' ' HG3' ' A' ' 329' ' ' GLU . 0.0 OUTLIER -82.21 -25.99 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 3.15 110.828 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 329' ' ' GLU . . . . . 0.878 ' HG3' ' HG2' ' A' ' 328' ' ' ARG . 0.0 OUTLIER -144.71 157.58 44.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 1.57 110.374 177.096 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 331' ' ' PRO . 23.5 mm -75.4 122.04 86.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.563 -0.744 . . . . 0.28 112.411 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 330' ' ' ILE . 9.8 Cg_endo -60.2 138.47 81.63 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.06 2.506 . . . . 0.29 112.314 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.5 m -94.07 53.86 1.83 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.41 0.624 . . . . 1.66 110.816 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.25 -168.17 35.41 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.536 -0.756 . . . . 0.46 111.497 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.0 p -66.07 113.17 4.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.929 0.395 . . . . 0.58 110.552 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -90.62 148.12 22.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.29 109.689 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.634 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 54.9 mtt180 -130.26 129.53 43.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.479 -0.328 . . . . 1.99 110.662 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.9 p -72.97 172.61 10.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.222 -0.445 . . . . 0.63 110.692 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.9 m -51.82 -42.71 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.36 . . . . 1.47 111.043 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.7 m -55.17 -43.42 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.674 -0.694 . . . . 1.67 111.301 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.9 m -65.96 -42.56 89.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.57 111.104 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.85 110.852 -175.48 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.96 -0.385 . . . . 0.29 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.9 ttm-85 -82.12 72.32 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.136 0.493 . . . . 0.69 109.89 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -77.58 150.53 34.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.656 0.613 . . . . 0.95 112.656 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.625 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 51.1 mtpt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.75 109.428 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.748 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.5 p30 . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 120.854 0.359 . . . . 1.25 110.278 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.401 ' HB3' ' OE2' ' A' ' 298' ' ' GLU . 45.4 mt-10 -72.53 139.12 47.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.848 -0.615 . . . . 1.11 109.831 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 297' ' ' ASP . . . . . 0.69 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 20.4 m-20 -89.84 11.92 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.337 -0.392 . . . . 0.49 111.649 -171.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.401 ' OE2' ' HB3' ' A' ' 296' ' ' GLU . 0.0 OUTLIER -141.13 135.13 30.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.572 0.701 . . . . 2.53 110.166 176.774 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 43.2 t -59.84 137.43 58.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.759 -1.109 . . . . 0.21 111.995 -174.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -67.33 -11.61 58.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.893 -0.594 . . . . 0.31 111.233 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -82.07 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.026 -0.534 . . . . 0.31 111.282 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.93 4.28 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.043 0.386 . . . . 0.34 112.043 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.456 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 27.8 mmt180 57.98 31.04 20.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 2.38 111.886 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.506 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.6 t70 -99.72 174.03 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.303 -0.999 . . . . 1.54 108.303 175.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.83 -179.74 15.86 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.394 -0.908 . . . . 0.7 111.98 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.85 -132.7 8.51 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.667 -0.778 . . . . 0.4 112.13 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.99 78.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.239 0.542 . . . . 1.91 110.251 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.677 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 20.8 mt -89.83 150.21 22.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.321 -0.854 . . . . 0.24 111.342 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.1 tt -126.52 117.25 47.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.648 -0.871 . . . . 0.21 108.648 172.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.783 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 52.3 t -104.07 146.93 28.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.274 0.559 . . . . 1.36 110.847 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.779 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.8 t -74.68 151.4 39.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.122 -0.944 . . . . 0.2 111.051 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.423 ' HA ' HH21 ' B' ' 2' ' ' ARG . 30.0 t70 -60.76 -67.0 0.44 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.974 -0.557 . . . . 0.66 111.047 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.79 -10.03 84.96 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 114.857 0.703 . . . . 0.37 114.857 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.6 p -136.58 133.68 19.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.882 0.841 . . . . 1.34 110.565 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 25.9 Cg_exo -62.49 -5.78 7.56 Favored 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 123.703 2.935 . . . . 0.52 114.208 -174.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -64.74 132.87 50.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.066 0.46 . . . . 1.3 111.565 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -112.28 153.41 27.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 0.14 108.974 173.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.618 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.5 m-85 -135.1 166.77 22.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.65 0.262 . . . . 0.21 110.532 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.5 m80 -96.08 147.9 23.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.258 -0.645 . . . . 0.18 109.258 171.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 85.5 mt -55.44 -51.99 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.218 0.324 . . . . 0.27 111.402 -173.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.26 53.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.174 0.435 . . . . 0.2 112.174 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.9 m -75.05 -25.4 58.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.21 111.335 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.0 157.71 36.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.317 0.58 . . . . 0.2 111.815 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.2 t -139.45 111.83 7.75 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 108.608 -0.886 . . . . 0.93 108.608 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.52 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.3 Cg_endo -73.87 141.55 72.09 Favored 'Cis proline' 0 C--O 1.233 0.272 0 C-N-CA 123.365 -1.514 . . . . 0.61 112.213 2.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 2.9 Cg_exo -72.01 138.09 30.4 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.891 2.394 . . . . 0.42 111.91 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -90.08 127.36 36.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.174 -0.466 . . . . 1.03 110.358 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -84.56 -23.19 29.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 3.15 110.122 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -141.25 157.25 45.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.064 -0.971 . . . . 1.57 109.665 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 28.8 mm -78.68 121.77 83.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.394 . . . . 0.28 111.378 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.9 Cg_endo -64.68 138.77 60.31 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.968 2.445 . . . . 0.29 112.618 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 46.2 m -96.32 52.07 1.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.974 -0.557 . . . . 1.66 110.647 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.22 -165.84 30.73 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.559 -0.829 . . . . 0.46 112.381 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -67.83 108.7 3.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.58 111.081 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.515 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.1 t90 -95.96 146.0 24.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.768 -0.651 . . . . 0.29 110.177 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.779 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.1 mtt180 -132.54 137.38 47.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 1.99 110.735 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.83 172.61 9.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.778 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.0 m -54.46 -45.38 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.633 0.254 . . . . 1.47 111.113 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.8 m -55.86 -43.0 76.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 1.67 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 97.6 m -65.73 -42.5 90.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.57 111.384 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.85 110.618 -178.075 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.808 -0.441 . . . . 0.29 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.783 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 48.3 ttm-85 -83.35 64.96 8.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.388 0.613 . . . . 0.69 109.641 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.25 151.4 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.408 -0.815 . . . . 0.95 111.504 -174.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.748 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.7 mtpp . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.75 110.184 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.731 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.76 -0.459 . . . . 1.25 109.76 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -69.41 144.46 53.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.176 -0.466 . . . . 1.11 110.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -91.17 0.67 57.48 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.923 0.392 . . . . 0.49 110.75 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.85 139.53 41.75 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.7 -0.682 . . . . 2.53 110.094 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.637 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 35.3 t -63.14 137.8 58.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.864 -1.062 . . . . 0.21 111.168 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.35 -19.59 66.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.31 111.324 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.593 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -75.0 -63.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.474 . . . . 0.31 111.251 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 19.1 p -116.78 3.72 12.97 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.384 0.513 . . . . 0.34 112.384 -171.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 32.7 mmt180 55.96 36.62 27.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.87 -0.605 . . . . 2.38 112.005 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.459 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.5 t0 -112.77 170.9 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.69 -0.856 . . . . 1.54 108.69 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.38 -166.77 17.4 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.85 -0.69 . . . . 0.7 111.698 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.58 -122.13 6.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.42 -0.895 . . . . 0.4 112.719 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -74.45 86.91 2.05 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.845 0.38 . . . . 1.91 110.457 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.851 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -101.03 141.08 34.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.53 0.681 . . . . 0.24 112.584 -174.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.64 HG13 ' HB1' ' B' ' 1' ' ' ALA . 2.9 tt -127.85 112.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.779 -1.1 . . . . 0.21 108.748 171.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 2.5 m -100.78 148.2 25.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 1.36 110.886 -174.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 314' ' ' CYS . 53.4 t -72.09 148.19 46.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.221 -0.899 . . . . 0.2 110.131 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.44 ' HA ' HH21 ' B' ' 2' ' ' ARG . 18.0 t70 -62.01 -67.49 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.798 -0.361 . . . . 0.66 110.678 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -68.3 -20.05 72.96 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.101 -0.5 . . . . 0.37 113.918 -173.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 311' ' ' CYS . 73.8 m -126.79 131.6 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 117.3 0.55 . . . . 1.34 110.516 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 -8.11 19.73 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.098 2.532 . . . . 0.52 113.797 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 300' ' ' ALA . 77.1 mtt180 -61.02 130.46 46.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.25 0.548 . . . . 1.3 111.33 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.89 153.76 25.0 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.257 -0.883 . . . . 0.14 108.95 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.637 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 45.6 m-85 -137.4 171.33 14.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.8 0.333 . . . . 0.21 111.233 -176.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.8 m80 -100.33 150.62 22.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.003 -0.74 . . . . 0.18 109.003 170.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.9 mt -57.27 -55.8 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.67 0.271 . . . . 0.27 111.145 -175.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.14 -25.11 61.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.542 . . . . 0.2 112.294 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.593 ' HB3' HG11 ' A' ' 301' ' ' VAL . 93.7 m -73.6 -24.12 60.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.445 -0.343 . . . . 0.21 111.423 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 323' ' ' LEU . . . . . 0.526 HD13 HD23 ' A' ' 327' ' ' LEU . 38.7 mt -67.69 158.38 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.227 0.537 . . . . 0.2 111.719 176.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 4.4 p -137.32 109.75 8.91 Favored Pre-proline 0 N--CA 1.435 -1.206 0 CA-C-N 115.506 -0.77 . . . . 0.93 110.506 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 15.4 Cg_exo -70.09 146.81 83.9 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.137 -1.193 . . . . 0.61 112.225 -2.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.527 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 7.5 Cg_exo -69.53 145.92 59.99 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.956 2.437 . . . . 0.42 112.214 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.562 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.4 mm? -92.35 136.07 33.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.007 -0.542 . . . . 1.03 109.897 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 328' ' ' ARG . 1.3 ptm180 -99.94 -18.16 17.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.348 0.594 . . . . 3.15 110.422 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.01 149.0 33.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.254 -0.884 . . . . 1.57 109.912 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.9 122.06 84.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 0.28 111.24 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.97 139.44 41.52 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.791 2.994 . . . . 0.29 112.972 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 m -90.18 29.94 1.17 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.563 -0.744 . . . . 1.66 111.23 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.2 -158.77 18.39 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.921 -0.657 . . . . 0.46 112.071 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.1 p -68.26 113.46 5.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.58 110.977 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.401 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.7 t90 -90.07 144.57 25.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.29 110.24 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.478 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 58.4 mtt85 -116.94 133.56 55.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 1.99 111.108 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.23 179.53 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.63 110.188 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 14.7 m -53.26 -45.77 68.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.953 0.353 . . . . 1.47 111.953 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 32.3 t -56.74 -47.09 80.81 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.863 0.363 . . . . 1.67 111.157 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.7 m -66.26 -41.55 89.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.441 -0.345 . . . . 0.57 110.843 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.85 110.868 178.915 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.64 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.237 -0.282 . . . . 0.29 110.237 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 45.9 ttm-85 -80.81 75.04 7.75 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.392 -0.595 . . . . 0.69 109.392 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -71.9 149.68 44.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.942 0.401 . . . . 0.95 111.791 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.851 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 51.1 mtpt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.91 -0.586 . . . . 0.75 110.429 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.715 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.2 p30 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 120.804 0.335 . . . . 1.25 110.114 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 41.3 mt-10 -71.79 136.65 47.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 1.11 109.959 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 297' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 1.9 m-20 -87.9 11.98 14.34 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.92 -0.77 . . . . 0.49 108.92 174.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -131.92 131.47 42.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.183 -0.917 . . . . 2.53 108.622 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.7 t -63.73 137.54 58.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.393 -0.367 . . . . 0.21 110.942 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.601 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -68.82 -19.34 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.31 111.01 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.647 HG11 ' HB3' ' A' ' 322' ' ' CYS . 70.1 t -76.43 -62.29 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 0.31 111.671 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -126.35 10.4 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.353 0.501 . . . . 0.34 112.353 -174.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 299' ' ' CYS . 33.9 mmt180 56.98 34.22 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 2.38 112.374 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 -175.68 3.16 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.138 -0.69 . . . . 1.54 109.138 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -132.29 -175.53 14.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.532 -0.842 . . . . 0.7 111.843 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 119.02 -127.11 7.08 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.56 -0.828 . . . . 0.4 112.435 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.67 84.49 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.148 0.499 . . . . 1.91 110.379 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.621 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 77.3 mt -95.19 144.99 25.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.571 -0.74 . . . . 0.24 112.3 -174.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.584 HG13 ' HB1' ' B' ' 1' ' ' ALA . 5.9 tt -124.23 105.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.06 -0.973 . . . . 0.21 109.171 173.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.5 m -92.72 147.85 22.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 1.36 110.726 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.786 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 34.6 t -74.56 152.51 39.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.6 -0.727 . . . . 0.2 110.783 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.592 ' HA ' HH21 ' B' ' 2' ' ' ARG . 28.1 t70 -60.79 -68.12 0.34 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.66 110.975 175.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -74.01 -10.39 80.88 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.664 0.626 . . . . 0.37 114.664 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.7 p -136.41 134.1 19.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 117.757 0.778 . . . . 1.34 110.148 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.9 -9.24 13.66 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 123.53 2.82 . . . . 0.52 114.108 -172.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.405 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 58.8 mtt180 -60.14 131.18 50.03 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.978 0.418 . . . . 1.3 111.624 -177.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.706 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.16 151.11 28.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 0.14 109.009 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 49.5 m-85 -135.59 169.52 17.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.808 0.337 . . . . 0.21 110.922 -176.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 54.0 m80 -100.38 145.83 27.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.77 -0.826 . . . . 0.18 108.77 169.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 327' ' ' LEU . 81.3 mt -55.78 -51.91 65.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 0.27 111.473 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.24 -15.17 60.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.2 111.765 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.647 ' HB3' HG11 ' A' ' 301' ' ' VAL . 74.6 m -82.84 -20.0 36.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.21 110.801 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 61.4 mt -75.71 154.66 36.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 0.2 111.386 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 23.0 t -139.99 110.08 7.14 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.782 -0.645 . . . . 0.93 109.512 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 10.6 Cg_exo -71.93 146.86 87.02 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 123.601 -1.416 . . . . 0.61 112.441 0.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.1 Cg_exo -74.98 139.01 23.84 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.81 2.34 . . . . 0.42 112.463 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.428 ' HB2' HD22 ' A' ' 320' ' ' LEU . 4.0 mm? -86.76 127.55 34.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 1.03 109.798 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -78.1 -26.63 48.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 3.15 110.585 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.05 161.48 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 1.57 110.316 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.422 HD13 HD21 ' A' ' 320' ' ' LEU . 34.2 mm -76.69 119.15 76.18 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.28 111.363 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.54 135.49 39.32 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.682 2.254 . . . . 0.29 112.102 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.7 t -94.03 57.52 2.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.487 0.66 . . . . 1.66 110.489 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -171.62 -170.47 35.68 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.934 -0.866 . . . . 0.46 110.934 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -65.42 114.37 4.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.147 0.499 . . . . 0.58 110.597 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.56 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 86.5 t90 -101.01 146.46 27.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.967 -0.56 . . . . 0.29 110.274 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.786 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 59.2 mtt180 -127.74 139.59 52.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 1.99 110.849 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -72.86 174.33 7.9 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.106 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 38.4 t -56.14 -44.95 79.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.775 0.321 . . . . 1.47 110.676 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.7 m -55.22 -45.98 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.67 111.138 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 81.4 m -66.71 -43.11 85.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.57 111.847 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 121.442 0.639 . . . . 0.85 110.759 -178.425 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.584 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.698 -0.482 . . . . 0.29 109.698 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -77.28 84.96 3.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.019 -0.537 . . . . 0.69 110.524 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -87.14 139.26 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.732 0.641 . . . . 0.95 112.732 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.715 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 27.2 mtpp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.269 -0.878 . . . . 0.75 109.327 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.857 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.3 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 120.629 0.252 . . . . 1.25 110.4 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.43 134.15 47.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.829 -0.434 . . . . 1.11 109.829 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 297' ' ' ASP . . . . . 0.742 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 5.9 m-20 -86.85 9.9 17.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.463 -0.569 . . . . 0.49 109.463 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -127.68 135.26 49.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.409 -0.96 . . . . 2.53 108.409 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.608 ' O ' ' HD2' ' A' ' 303' ' ' ARG . 42.8 t -66.98 138.12 57.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.89 0.376 . . . . 0.21 110.839 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -68.73 -15.8 63.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.331 . . . . 0.31 111.386 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.614 HG11 ' HB3' ' A' ' 322' ' ' CYS . 74.0 t -79.02 -62.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.475 . . . . 0.31 111.414 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -119.03 5.18 11.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.982 0.42 . . . . 0.34 112.018 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.608 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 28.2 mmm180 54.92 35.93 25.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.542 -0.754 . . . . 2.38 111.38 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.468 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.4 t70 -102.43 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.631 -0.878 . . . . 1.54 108.631 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.54 -175.91 15.13 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.552 -0.833 . . . . 0.7 111.876 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 121.84 -128.6 7.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.731 -0.747 . . . . 0.4 112.2 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.87 92.1 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.098 0.475 . . . . 1.91 110.266 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.868 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.3 mt -104.0 146.7 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.24 111.806 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 4.4 tt -125.78 114.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.275 -0.875 . . . . 0.21 109.187 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 40.8 t -100.46 142.57 31.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.395 0.617 . . . . 1.36 111.682 -172.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.2 t -74.44 141.29 45.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.93 -1.032 . . . . 0.2 110.085 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.11 -64.56 0.91 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.992 0.425 . . . . 0.66 110.911 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -63.39 -21.3 64.3 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.974 -0.557 . . . . 0.37 114.307 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 81.8 m -135.87 131.98 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 117.632 0.716 . . . . 1.34 110.899 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 27.2 Cg_exo -60.52 -14.69 31.99 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.628 2.885 . . . . 0.52 114.2 -172.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -58.14 132.95 55.06 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.001 0.429 . . . . 1.3 111.43 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -113.06 152.33 29.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 0.14 109.15 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 38.9 m-85 -132.54 162.22 31.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.615 0.245 . . . . 0.21 110.753 -175.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.578 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.6 m80 -93.49 146.13 24.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 0.18 109.077 170.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 92.1 mt -56.67 -54.38 46.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.747 0.308 . . . . 0.27 111.211 -173.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.11 -17.31 60.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.529 . . . . 0.2 112.122 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.614 ' HB3' HG11 ' A' ' 301' ' ' VAL . 80.4 m -79.53 -21.15 45.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.886 0.374 . . . . 0.21 111.026 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.84 154.71 38.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 0.2 111.715 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.9 t -139.88 107.45 6.94 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.171 -0.922 . . . . 0.93 108.762 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 87.4 Cg_endo -76.61 143.58 76.46 Favored 'Cis proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.508 -1.455 . . . . 0.61 112.735 5.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.4 Cg_exo -75.18 144.04 29.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.841 2.361 . . . . 0.42 112.178 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.571 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -95.82 132.66 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 1.03 109.958 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.164 0.507 . . . . 3.15 109.933 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.58 160.23 39.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.576 -0.738 . . . . 1.57 109.893 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 330' ' ' ILE . 29.5 mm -80.49 121.87 81.88 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.992 -0.549 . . . . 0.28 111.768 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 9.6 Cg_endo -57.79 139.38 90.13 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.463 2.775 . . . . 0.29 112.767 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 p -89.43 38.43 0.9 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.511 -0.768 . . . . 1.66 111.395 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -166.4 -170.92 31.93 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.489 -0.644 . . . . 0.46 111.489 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 36.9 p -66.15 112.0 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.819 0.343 . . . . 0.58 110.368 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.456 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 82.9 t90 -84.92 145.74 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.29 110.102 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.528 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 93.8 mtt180 -119.7 132.3 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 1.99 110.647 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.15 177.27 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.029 -0.532 . . . . 0.63 110.304 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.9 m -53.2 -43.94 67.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.682 -0.235 . . . . 1.47 111.279 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 42.4 t -55.97 -51.44 67.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 1.67 111.011 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.4 m -60.85 -42.44 97.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.57 111.098 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.85 110.611 -178.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.226 -0.287 . . . . 0.29 110.226 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 2' ' ' ARG . 16.1 ttp180 -82.12 80.47 8.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.462 0.649 . . . . 0.69 110.098 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.24 151.24 39.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.68 -0.691 . . . . 0.95 112.036 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.75 110.224 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.754 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 1.25 111.229 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.7 139.72 53.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 1.11 110.157 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -89.73 13.01 15.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.07 -0.715 . . . . 0.49 109.07 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.81 138.46 52.08 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.53 108.491 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 42.9 t -71.64 138.2 48.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.002 0.43 . . . . 0.21 111.188 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -69.64 -13.08 62.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.31 111.38 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 322' ' ' CYS . 78.1 t -83.54 -59.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.957 -0.565 . . . . 0.31 111.448 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.91 8.5 8.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.386 0.513 . . . . 0.34 112.386 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 26.0 mmm180 57.0 30.64 18.5 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.026 -0.534 . . . . 2.38 111.668 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.512 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.9 t70 -101.65 174.39 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.212 -0.662 . . . . 1.54 109.212 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.65 -174.36 14.72 Favored Glycine 0 C--N 1.318 -0.419 0 C-N-CA 120.897 -0.668 . . . . 0.7 111.906 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 116.48 -119.78 4.63 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.314 -0.946 . . . . 0.4 112.364 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.95 87.22 6.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 1.91 110.376 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 83.8 mt -102.3 149.79 23.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.678 -0.692 . . . . 0.24 111.803 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.0 tt -132.48 118.15 34.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.257 -0.883 . . . . 0.21 109.266 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.86 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 48.9 t -103.09 147.48 26.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.465 0.65 . . . . 1.36 111.251 -174.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 50.5 t -74.79 153.14 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.97 -1.013 . . . . 0.2 111.326 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.52 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 21.5 t0 -60.46 -67.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.998 0.428 . . . . 0.66 110.862 174.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -80.87 -1.28 89.53 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.162 -0.542 . . . . 0.37 114.258 -173.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 76.6 m -135.54 132.84 19.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.739 0.769 . . . . 1.34 111.263 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 16.0 Cg_exo -66.54 -12.53 36.19 Favored 'Trans proline' 0 N--CA 1.472 0.248 0 C-N-CA 123.856 3.037 . . . . 0.52 113.583 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.32 133.63 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 1.3 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -113.57 153.27 29.08 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.686 -0.857 . . . . 0.14 108.686 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.464 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 39.3 m-85 -134.15 168.0 19.65 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.632 0.254 . . . . 0.21 110.42 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.524 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 52.0 m80 -95.75 145.71 25.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 0.18 108.752 169.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.517 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.5 mt -57.01 -51.56 68.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.66 0.267 . . . . 0.27 111.066 -172.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.33 62.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.2 112.132 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.623 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.0 m -72.17 -20.69 61.56 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.779 0.323 . . . . 0.21 110.926 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.49 155.7 40.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.262 0.553 . . . . 0.2 111.207 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.446 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 24.7 t -141.38 113.76 6.74 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.21 -0.905 . . . . 0.93 108.967 172.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.51 133.34 29.36 Favored 'Cis proline' 0 C--O 1.233 0.255 0 C-N-CA 123.644 -1.399 . . . . 0.61 112.598 0.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 324' ' ' SER . 17.8 Cg_endo -64.23 142.39 79.66 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.068 2.512 . . . . 0.42 112.901 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -92.92 134.99 34.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.397 -0.82 . . . . 1.03 109.688 177.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -89.61 -25.72 21.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.163 0.506 . . . . 3.15 110.094 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -144.59 158.15 43.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.59 -0.732 . . . . 1.57 110.343 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 41.2 mm -75.4 122.46 87.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.28 111.439 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -56.84 138.1 84.27 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.255 2.637 . . . . 0.29 112.62 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 p -91.96 40.73 1.05 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.689 0.756 . . . . 1.66 110.407 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -172.23 -172.7 38.31 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.254 -0.885 . . . . 0.46 111.02 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 p -64.53 114.67 4.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.303 0.573 . . . . 0.58 111.375 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.443 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.6 t90 -89.4 143.85 26.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.29 109.795 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.553 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.8 mtt180 -122.33 136.9 54.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 1.99 110.858 -178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.02 174.46 11.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.462 -0.57 . . . . 0.63 109.462 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 49.2 m -53.75 -43.8 69.46 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.137 0.421 . . . . 1.47 112.137 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 35.8 t -60.17 -44.04 95.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.281 . . . . 1.67 111.14 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 86.0 m -60.71 -40.95 94.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.57 111.103 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.85 110.376 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.663 -0.495 . . . . 0.29 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.86 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 35.8 ttm-85 -83.34 70.19 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.381 0.61 . . . . 0.69 109.864 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.67 142.55 49.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.579 -0.737 . . . . 0.95 111.427 -175.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.672 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.7 mtpp . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.75 110.235 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.812 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 120.972 0.415 . . . . 1.25 110.598 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.505 ' HG3' ' HB2' ' A' ' 315' ' ' PRO . 43.9 mt-10 -83.44 151.05 25.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.486 -0.779 . . . . 1.11 109.658 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -101.79 19.59 17.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.929 0.395 . . . . 0.49 111.281 -171.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.37 135.94 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.533 0.682 . . . . 2.53 110.169 173.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 41.2 t -64.45 137.54 57.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.867 -1.061 . . . . 0.21 111.625 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.6 -0.727 . . . . 0.31 111.254 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 322' ' ' CYS . 73.5 t -78.43 -67.33 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.946 -0.57 . . . . 0.31 111.856 -178.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.12 0.25 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.34 112.323 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 31.2 mmt180 61.46 28.64 17.94 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.292 0.568 . . . . 2.38 111.682 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.456 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.8 t0 -100.32 179.12 4.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.448 -0.945 . . . . 1.54 108.448 174.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -133.84 -168.42 11.82 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.751 -0.738 . . . . 0.7 112.026 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 111.98 -119.84 5.17 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.629 -0.796 . . . . 0.4 112.072 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.46 82.08 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.241 0.543 . . . . 1.91 110.431 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 58.8 mt -95.34 150.51 20.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.532 -0.758 . . . . 0.24 111.888 -176.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.45 114.49 31.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.359 -0.837 . . . . 0.21 109.066 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.727 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.9 m -102.4 148.32 25.63 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 1.36 110.926 -172.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 33.7 t -74.17 152.54 39.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.2 111.102 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.551 ' HA ' HH21 ' B' ' 2' ' ' ARG . 36.1 t70 -60.34 -67.03 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.166 -0.47 . . . . 0.66 110.856 175.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -73.11 -14.39 78.97 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.815 -0.629 . . . . 0.37 114.606 -172.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 28.0 p -136.8 132.25 18.38 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 117.855 0.828 . . . . 1.34 110.312 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.505 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 29.4 Cg_endo -64.05 -4.37 7.48 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.223 2.615 . . . . 0.52 114.264 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -57.4 123.85 16.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.969 0.414 . . . . 1.3 110.959 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -106.69 151.46 25.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.605 -0.725 . . . . 0.14 109.563 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.587 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 51.9 m-85 -134.27 169.94 16.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.849 0.357 . . . . 0.21 110.578 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.604 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.1 m80 -98.77 146.21 26.14 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.223 -0.658 . . . . 0.18 109.223 170.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.67 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 96.3 mt -54.4 -52.11 62.72 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 123.37 0.419 . . . . 0.27 111.691 -173.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -75.75 -19.76 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 0.2 111.85 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.2 m -77.17 -22.19 52.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.483 -0.326 . . . . 0.21 110.98 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.04 158.33 36.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.004 0.431 . . . . 0.2 111.373 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.3 t -140.5 114.73 7.43 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.854 -0.612 . . . . 0.93 109.512 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.518 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.8 Cg_exo -71.39 139.93 61.82 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.699 -1.376 . . . . 0.61 111.836 -1.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.518 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.2 Cg_exo -67.91 142.35 56.81 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.969 2.446 . . . . 0.42 112.504 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -92.35 128.32 38.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.846 -0.616 . . . . 1.03 110.406 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -83.12 -22.41 33.36 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.213 0.53 . . . . 3.15 110.131 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.49 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.331 -0.85 . . . . 1.57 110.016 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' B' ' 1' ' ' ALA . 31.3 mm -72.89 126.79 90.36 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.28 112.126 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.604 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.4 Cg_endo -64.88 137.2 52.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.909 2.406 . . . . 0.29 112.115 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.2 t -93.2 52.44 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.607 -0.724 . . . . 1.66 110.5 -171.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.68 -170.58 39.39 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.851 -0.9 . . . . 0.46 110.851 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.6 p -65.74 120.46 13.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.296 0.569 . . . . 0.58 110.51 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -100.45 145.69 27.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.835 -0.621 . . . . 0.29 110.0 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.668 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.6 mtt180 -124.91 137.26 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 1.99 110.666 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 21.7 p -77.75 177.85 7.83 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.234 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.2 m -56.65 -46.53 81.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.668 -0.242 . . . . 1.47 111.157 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 48.9 m -57.24 -42.8 82.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.579 -0.282 . . . . 1.67 111.278 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 84.8 m -61.36 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.57 111.05 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.245 0.545 . . . . 0.85 110.29 -178.46 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.604 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.619 0.247 . . . . 0.29 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 35.0 ttm-85 -77.25 85.74 3.69 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.69 110.107 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.53 139.7 30.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.785 0.326 . . . . 0.95 110.96 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.8 mtpp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.75 110.354 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.729 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 6.5 p30 . . . . . 0 N--CA 1.446 -0.643 0 CA-C-O 121.3 0.572 . . . . 1.25 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.11 143.1 32.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.508 -0.769 . . . . 1.11 109.965 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 297' ' ' ASP . . . . . 0.512 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.5 m-20 -87.21 11.83 13.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.898 0.333 . . . . 0.49 111.898 -173.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.82 145.81 35.14 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.447 0.642 . . . . 2.53 110.576 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.5 t -75.52 137.43 40.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.566 -1.197 . . . . 0.21 111.745 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.02 -14.77 62.25 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.637 -0.71 . . . . 0.31 111.481 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.639 HG11 ' HB3' ' A' ' 322' ' ' CYS . 74.3 t -82.55 -64.56 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.31 111.749 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 302' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' ' 304' ' ' ASP . 4.3 p -114.37 5.65 15.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.524 0.565 . . . . 0.34 112.524 -173.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 62.15 20.95 12.08 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.509 0.671 . . . . 2.38 110.79 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.637 ' HB2' ' SG ' ' A' ' 302' ' ' CYS . 0.2 OUTLIER -92.02 164.21 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.368 -0.833 . . . . 1.54 110.661 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -114.51 -175.37 18.72 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 110.768 -0.933 . . . . 0.7 110.768 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.65 -136.03 10.13 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.335 -0.936 . . . . 0.4 111.911 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.46 91.56 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 1.91 110.148 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.855 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 77.0 mt -100.07 149.31 23.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.829 -0.623 . . . . 0.24 111.954 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.611 HG13 ' HB1' ' B' ' 1' ' ' ALA . 6.2 tt -128.89 108.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.169 -0.923 . . . . 0.21 109.371 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.823 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.1 t -95.84 147.55 23.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.361 0.601 . . . . 1.36 111.255 -176.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.9 t -74.99 155.64 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.029 -0.987 . . . . 0.2 111.47 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 17.9 t70 -59.92 -68.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.207 -0.451 . . . . 0.66 111.163 174.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.48 -4.04 86.11 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.845 -0.693 . . . . 0.37 113.671 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 72.0 m -129.23 132.63 24.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.276 0.538 . . . . 1.34 110.999 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 14.1 Cg_exo -67.0 -15.84 47.94 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.497 2.798 . . . . 0.52 113.785 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 88.6 mtt180 -59.44 129.86 44.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.062 0.458 . . . . 1.3 111.771 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -107.28 148.7 28.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.402 -0.817 . . . . 0.14 108.826 171.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.482 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 38.0 m-85 -131.96 171.4 13.62 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.724 0.297 . . . . 0.21 110.322 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.3 m80 -100.47 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.208 -0.664 . . . . 0.18 109.208 170.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.676 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 73.7 mt -54.08 -55.27 29.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.905 0.383 . . . . 0.27 111.623 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.9 -20.77 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.637 -0.711 . . . . 0.2 112.135 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.639 ' HB3' HG11 ' A' ' 301' ' ' VAL . 74.5 m -78.74 -25.5 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.21 111.563 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 323' ' ' LEU . . . . . 0.471 HD13 HD23 ' A' ' 327' ' ' LEU . 38.1 mt -65.5 160.29 22.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.2 111.603 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 23.2 t -139.05 110.95 7.87 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.099 -0.5 . . . . 0.93 109.864 174.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.9 Cg_exo -71.85 144.79 81.15 Favored 'Cis proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.695 -1.377 . . . . 0.61 112.249 -1.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 10.1 Cg_exo -67.96 138.1 43.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.967 2.445 . . . . 0.42 112.241 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.6 mm? -85.65 127.88 34.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 1.03 109.791 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -84.82 -18.57 34.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.404 0.621 . . . . 3.15 110.436 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.66 158.52 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.083 -0.962 . . . . 1.57 110.435 -172.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.484 HD13 HD21 ' A' ' 320' ' ' LEU . 31.1 mm -81.78 114.02 47.09 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 0.28 110.059 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.61 133.08 37.95 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.848 2.365 . . . . 0.29 112.369 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 15.4 t -90.48 59.99 4.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.622 0.725 . . . . 1.66 109.865 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 179.08 -168.37 39.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.313 -0.858 . . . . 0.46 111.26 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.64 115.01 6.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.047 0.451 . . . . 0.58 110.871 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.549 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.2 t90 -96.56 147.08 24.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.29 110.048 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.564 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 97.2 mtt180 -124.94 134.21 52.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 1.99 111.098 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.7 p -78.68 175.08 10.75 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.198 -0.455 . . . . 0.63 109.966 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 19.6 m -52.07 -42.3 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.917 0.34 . . . . 1.47 111.917 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.8 m -55.71 -49.22 73.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.825 0.345 . . . . 1.67 111.572 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 82.1 m -65.98 -43.37 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.643 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.85 111.131 -178.641 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.879 -0.415 . . . . 0.29 109.879 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.823 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 33.7 ttm-85 -82.84 76.04 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.234 0.54 . . . . 0.69 109.918 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p -76.79 148.36 36.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.686 0.624 . . . . 0.95 112.686 -172.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.855 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 29.3 mtpp . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.177 -0.92 . . . . 0.75 109.245 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.778 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.3 p30 . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 120.807 0.337 . . . . 1.25 110.341 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.414 ' O ' ' HE2' ' B' ' 4' ' ' LYS . 39.1 mt-10 -77.79 145.84 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.571 -0.529 . . . . 1.11 109.571 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 297' ' ' ASP . . . . . 0.613 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 40.6 m-20 -91.16 35.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.054 -0.258 . . . . 0.49 110.66 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 0.2 OUTLIER -141.88 153.98 44.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.412 0.625 . . . . 2.53 111.161 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 39.8 t -88.83 136.43 33.01 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.823 -1.08 . . . . 0.21 109.443 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.617 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.23 -14.25 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.022 0.439 . . . . 0.31 111.476 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.504 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -79.28 -56.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 0.31 111.213 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -123.01 6.19 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.191 0.811 . . . . 0.34 113.191 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 58.89 33.04 22.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.098 0.475 . . . . 2.38 111.543 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 3.9 t70 -114.37 177.69 4.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.586 -0.524 . . . . 1.54 109.586 -178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -126.82 -167.74 12.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.082 -0.58 . . . . 0.7 111.958 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 115.3 -119.74 4.72 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.034 -1.079 . . . . 0.4 111.984 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -80.97 85.61 6.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.314 0.578 . . . . 1.91 110.176 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.919 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 92.9 mt -102.55 142.67 33.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.318 -0.855 . . . . 0.24 111.907 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 7.4 tt -123.42 116.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.312 -0.858 . . . . 0.21 109.011 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 52.7 t -105.17 144.07 32.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 1.36 111.37 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 40.6 t -74.84 142.27 44.17 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.2 109.336 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.16 -64.79 0.83 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.414 -0.515 . . . . 0.66 111.478 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.85 -3.16 59.0 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.111 -0.566 . . . . 0.37 114.399 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 95.0 m -136.59 127.19 16.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 117.685 0.742 . . . . 1.34 110.743 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.412 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 47.3 Cg_endo -66.48 -10.39 27.61 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.211 2.607 . . . . 0.52 113.735 -171.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.617 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 25.6 mtt180 -63.33 136.45 57.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 1.3 111.524 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.639 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.29 162.6 16.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.583 -0.735 . . . . 0.14 109.138 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 56.0 m-85 -142.55 165.89 26.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.21 110.534 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.496 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.8 m80 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.29 -0.633 . . . . 0.18 109.29 171.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 65.5 mt -56.57 -52.06 66.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.03 0.206 . . . . 0.27 111.288 -173.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.87 57.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.245 0.461 . . . . 0.2 112.245 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.5 m -79.15 -18.8 52.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.059 0.457 . . . . 0.21 110.66 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.76 152.2 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.081 0.467 . . . . 0.2 110.844 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -140.44 113.01 7.25 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.658 -0.701 . . . . 0.93 109.267 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.06 137.75 48.57 Favored 'Cis proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.284 -1.548 . . . . 0.61 112.576 0.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.85 147.84 75.63 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.88 2.386 . . . . 0.42 112.079 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -95.62 123.78 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.183 0.516 . . . . 1.03 110.732 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 328' ' ' ARG . 11.5 ptp180 -78.95 -27.07 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 3.15 110.77 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -142.28 154.17 44.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.632 -0.713 . . . . 1.57 109.655 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.41 ' CD1' HD21 ' A' ' 320' ' ' LEU . 25.4 mm -79.2 119.31 76.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.113 0.483 . . . . 0.28 111.699 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 11.3 Cg_endo -63.13 139.11 70.95 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.951 2.434 . . . . 0.29 112.169 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 t -98.13 48.4 1.0 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.401 0.619 . . . . 1.66 110.189 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.37 -169.74 27.26 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.435 -0.802 . . . . 0.46 111.124 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.1 p -66.88 108.5 2.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.247 0.546 . . . . 0.58 110.754 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.489 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.9 t90 -88.81 142.53 27.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.29 109.755 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.506 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 79.1 mtt180 -114.92 133.26 56.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.037 -0.529 . . . . 1.99 110.635 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 28.5 p -78.19 176.42 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.974 -0.38 . . . . 0.63 109.974 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.8 m -51.57 -45.86 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.18 0.3 . . . . 1.47 111.76 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.3 m -56.43 -46.72 80.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.241 -0.436 . . . . 1.67 111.176 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.8 m -66.88 -42.72 85.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.57 111.441 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.85 111.046 -178.094 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.95 -0.389 . . . . 0.29 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.412 ' HG2' HD22 ' A' ' 295' ' ' ASN . 23.7 ttp180 -80.25 83.46 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.521 . . . . 0.69 109.885 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -83.21 147.26 28.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.425 0.631 . . . . 0.95 112.548 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.919 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.8 mtpp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.252 -0.885 . . . . 0.75 110.027 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.745 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.917 0 CA-C-O 120.953 0.406 . . . . 1.25 110.47 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.45 140.89 57.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.599 -0.728 . . . . 1.11 110.401 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.93 7.74 35.85 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.233 -0.654 . . . . 0.49 109.233 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 3.1 mp0 -131.65 142.67 49.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.533 -0.914 . . . . 2.53 108.533 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 38.0 t -69.14 138.19 53.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.403 -0.817 . . . . 0.21 110.314 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.419 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -59.85 -24.09 63.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.148 0.499 . . . . 0.31 111.013 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.563 HG11 ' HB3' ' A' ' 322' ' ' CYS . 72.9 t -75.35 -65.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.498 -0.774 . . . . 0.31 111.592 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.7 p -114.54 3.72 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.942 0.719 . . . . 0.34 112.942 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.427 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 29.4 mmm180 56.95 32.88 22.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.826 0.45 . . . . 2.38 111.281 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.607 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 1.2 t70 -104.03 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.636 -0.505 . . . . 1.54 109.636 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.89 13.59 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.462 -0.875 . . . . 0.7 112.335 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 115.8 -125.71 6.79 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.743 -0.741 . . . . 0.4 112.167 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.98 84.89 6.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.402 0.62 . . . . 1.91 110.567 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -95.9 146.51 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.175 -0.921 . . . . 0.24 111.935 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.408 HG13 ' HB1' ' B' ' 1' ' ' ALA . 8.1 tt -124.64 112.16 31.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.105 -0.952 . . . . 0.21 109.165 171.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.7 m -101.89 148.79 24.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.926 -0.579 . . . . 1.36 110.399 -173.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.7 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 41.8 t -74.32 150.85 39.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.849 -0.614 . . . . 0.2 110.98 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.9 t70 -61.21 -67.1 0.44 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.263 -0.426 . . . . 0.66 110.885 175.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.4 -14.04 74.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 114.934 0.734 . . . . 0.37 114.934 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 16.3 p -136.44 134.04 19.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 118.027 0.914 . . . . 1.34 110.507 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.31 -6.93 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.777 2.984 . . . . 0.52 114.814 -173.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -62.42 131.89 50.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.371 . . . . 1.3 111.843 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.3 155.25 23.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 0.14 109.347 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.601 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 50.5 m-85 -138.76 167.24 22.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.918 0.39 . . . . 0.21 110.961 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.602 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.9 m80 -98.41 145.71 26.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.605 -0.887 . . . . 0.18 108.605 168.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 83.1 mt -53.65 -52.13 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.943 0.349 . . . . 0.27 111.943 -173.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.08 -23.24 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 0.2 112.081 -176.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 76.4 m -75.83 -23.5 55.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.21 110.861 -176.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.0 157.1 34.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.153 -0.476 . . . . 0.2 111.45 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 30.8 t -139.47 113.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.009 -0.542 . . . . 0.93 109.636 173.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.5 Cg_exo -69.46 141.78 66.51 Favored 'Cis proline' 0 C--N 1.345 0.349 0 C-N-CA 123.734 -1.361 . . . . 0.61 112.165 -1.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 13.3 Cg_exo -67.27 143.65 65.24 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.759 2.306 . . . . 0.42 112.487 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 67.7 mt -89.33 135.89 33.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 1.03 110.623 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.87 -21.79 17.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.14 0.495 . . . . 3.15 110.16 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.49 161.16 38.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.464 -0.789 . . . . 1.57 110.419 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 320' ' ' LEU . 23.9 mm -86.91 118.35 69.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 0.28 111.167 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.659 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 16.3 Cg_endo -66.14 138.68 52.71 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.665 2.243 . . . . 0.29 112.312 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.3 m -98.27 47.27 1.0 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.464 0.649 . . . . 1.66 110.635 -174.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -165.19 -170.2 29.82 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.489 -0.778 . . . . 0.46 111.3 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.2 p -66.82 109.85 3.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.215 0.531 . . . . 0.58 110.917 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.433 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 75.1 t90 -94.91 146.85 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.024 -0.535 . . . . 0.29 110.363 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.7 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 52.4 mtt-85 -124.9 137.36 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 1.99 111.107 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 337' ' ' CYS . . . . . 0.485 ' HG ' ' HG ' ' A' ' 314' ' ' CYS . 17.3 p -80.86 178.51 8.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.63 109.962 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.6 p -55.71 -46.72 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 1.47 111.16 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.4 m -56.37 -45.47 80.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 1.67 111.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' CYS . . . . . . . . . . . . . 84.1 m -66.3 -40.06 89.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.33 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 94.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.85 110.709 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.659 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.773 -0.454 . . . . 0.29 109.773 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.745 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 43.8 ttm-85 -78.93 82.6 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.69 110.483 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.1 p -81.97 137.47 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.928 0.344 . . . . 0.95 111.928 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.2 mtpp . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.983 -0.553 . . . . 0.75 110.699 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.74 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 1.1 p30 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-O 121.147 0.499 . . . . 1.25 109.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.95 156.77 27.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.557 -0.747 . . . . 1.11 109.764 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.9 11.39 33.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.671 0.272 . . . . 0.49 110.78 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.97 143.43 40.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.434 0.635 . . . . 2.53 110.514 174.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.726 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.4 t -70.53 138.29 50.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.95 -1.023 . . . . 0.21 110.98 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.402 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.24 -11.21 38.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.65 -0.705 . . . . 0.31 111.256 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 322' ' ' CYS . 88.1 t -88.85 -66.97 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.31 111.612 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.0 p -108.67 7.76 26.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.575 0.583 . . . . 0.34 112.575 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 28.0 mmt180 57.09 33.24 23.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.312 0.486 . . . . 2.38 112.312 176.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.47 174.19 6.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.654 -0.498 . . . . 1.54 109.654 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.05 -172.01 16.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.022 -0.609 . . . . 0.7 111.688 -176.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.65 -132.14 8.09 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.717 -0.754 . . . . 0.4 111.734 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.14 79.03 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.305 0.574 . . . . 1.91 110.246 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 59.6 mt -91.51 151.85 20.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.165 -0.925 . . . . 0.24 111.313 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.441 HG13 ' HB1' ' B' ' 1' ' ' ALA . 9.8 tt -132.53 106.09 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.21 109.064 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.929 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.0 t -89.81 146.29 24.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.355 -0.839 . . . . 1.36 111.495 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.5 t -74.65 154.2 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.117 -0.947 . . . . 0.2 111.16 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.459 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.9 t70 -60.24 -69.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.66 111.279 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.25 -4.38 89.66 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.023 -0.608 . . . . 0.37 113.884 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 72.5 m -128.38 127.41 23.67 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 117.132 0.466 . . . . 1.34 110.633 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.36 -11.32 29.7 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.088 2.525 . . . . 0.52 113.798 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -59.14 129.01 40.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.05 0.452 . . . . 1.3 111.199 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.726 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.48 145.94 39.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.444 -0.798 . . . . 0.14 108.912 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.474 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 57.8 m-85 -127.36 163.45 23.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.777 0.322 . . . . 0.21 111.407 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.558 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 41.1 m80 -90.07 145.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.188 -0.671 . . . . 0.18 109.188 170.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.27 -53.99 50.68 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.169 -0.212 . . . . 0.27 111.394 -173.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -69.86 -24.21 63.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.158 -0.473 . . . . 0.2 111.886 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 71.5 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.449 -0.341 . . . . 0.21 111.044 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.6 mt -73.09 159.18 33.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.2 111.962 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 30.7 t -140.0 114.41 7.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.508 -0.769 . . . . 0.93 109.712 174.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.512 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 12.5 Cg_exo -71.86 143.67 77.64 Favored 'Cis proline' 0 C--N 1.344 0.318 0 C-N-CA 123.728 -1.364 . . . . 0.61 111.913 -2.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.1 Cg_exo -72.21 123.76 9.45 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.662 2.241 . . . . 0.42 112.079 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.22 131.47 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 1.03 110.123 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -85.19 -25.79 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.204 0.526 . . . . 3.15 109.918 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.48 159.28 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.474 -0.785 . . . . 1.57 110.027 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 30.0 mm -77.17 116.71 59.76 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.28 111.538 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -68.7 138.0 40.21 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.926 2.417 . . . . 0.29 113.583 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.9 t -94.89 109.86 21.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.181 -0.918 . . . . 1.66 109.158 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 142.03 -170.88 24.76 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.856 -0.687 . . . . 0.46 111.583 -174.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.6 p -81.12 102.2 10.11 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.16 0.505 . . . . 0.58 111.012 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.582 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 90.5 t90 -85.5 142.37 29.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.963 -0.562 . . . . 0.29 109.612 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.574 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 20.4 mtm180 -125.74 137.85 53.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.843 -0.617 . . . . 1.99 111.121 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.5 172.97 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.365 -0.38 . . . . 0.63 110.215 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.9 m -54.53 -43.73 72.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.939 0.348 . . . . 1.47 111.939 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 37.6 t -56.36 -48.25 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.502 -0.317 . . . . 1.67 111.242 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 91.3 m -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.57 111.02 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 341' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 336' ' ' ARG . 84.6 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.85 110.962 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.441 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.877 -0.416 . . . . 0.29 109.877 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.929 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 28.1 ttm-85 -87.27 73.54 9.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.69 110.251 -173.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.63 144.12 49.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.945 -0.571 . . . . 0.95 111.585 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.74 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 49.9 mtpt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.041 -0.527 . . . . 0.75 110.134 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.653 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.959 -0.385 . . . . 1.25 109.959 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.508 ' OE2' ' HG2' ' A' ' 316' ' ' ARG . 21.1 mt-10 -71.03 151.9 44.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.011 -0.54 . . . . 1.11 111.052 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.9 8.02 44.44 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.113 0.482 . . . . 0.49 109.985 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.48 ' HB2' ' HD3' ' A' ' 303' ' ' ARG . 1.1 mp0 -135.81 140.64 44.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.83 -0.804 . . . . 2.53 108.83 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.574 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 43.1 t -63.96 137.07 57.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.21 110.463 178.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.652 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -69.12 -13.04 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.092 0.473 . . . . 0.31 111.244 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -76.58 -59.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.722 -0.672 . . . . 0.31 111.231 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 11.2 p -127.12 3.81 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.81 0.67 . . . . 0.34 112.81 -173.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.48 ' HD3' ' HB2' ' A' ' 298' ' ' GLU . 24.8 mmt180 57.79 39.74 26.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.54 0.57 . . . . 2.38 112.54 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.44 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.7 t0 -107.18 178.18 4.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.162 -1.051 . . . . 1.54 108.162 171.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.57 -177.01 14.94 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.659 -0.781 . . . . 0.7 112.105 -175.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.88 -128.76 6.8 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.939 -0.648 . . . . 0.4 112.068 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.54 84.29 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 1.91 110.607 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.547 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -91.99 138.48 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.559 . . . . 0.24 112.069 -176.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.3 tt -120.95 119.96 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.091 -0.958 . . . . 0.21 108.783 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.6 m -108.83 147.28 32.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.101 0.477 . . . . 1.36 110.804 -171.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.574 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.5 t -74.54 153.13 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.435 -0.802 . . . . 0.2 110.596 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.617 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 35.4 t70 -60.87 -68.11 0.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.732 0.301 . . . . 0.66 111.492 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.72 83.42 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.903 0.721 . . . . 0.37 114.903 -170.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.5 p -136.2 133.96 19.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 117.912 0.856 . . . . 1.34 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.81 -11.62 27.67 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.571 2.847 . . . . 0.52 113.989 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.508 ' HG2' ' OE2' ' A' ' 296' ' ' GLU . 54.3 mtt180 -60.71 128.35 36.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.19 0.519 . . . . 1.3 111.534 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.26 155.75 23.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.318 -0.856 . . . . 0.14 109.289 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.652 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 57.9 m-85 -137.78 168.29 19.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.008 0.433 . . . . 0.21 111.336 -174.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.8 m80 -96.13 146.29 24.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.554 -0.748 . . . . 0.18 109.116 169.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.545 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.4 mt -56.14 -53.29 58.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.54 0.209 . . . . 0.27 111.373 -174.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.31 -23.16 59.03 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.464 0.542 . . . . 0.2 112.464 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.601 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -74.8 -20.54 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.018 0.437 . . . . 0.21 110.524 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.4 154.09 38.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 0.2 111.499 175.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 24.6 t -140.54 115.07 7.44 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.392 -0.822 . . . . 0.93 109.081 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.3 137.79 47.04 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.513 -1.453 . . . . 0.61 112.374 -0.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -70.83 146.77 54.46 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.028 2.486 . . . . 0.42 112.761 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -94.43 131.7 39.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.642 -0.708 . . . . 1.03 110.328 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.747 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 7.7 ptp180 -83.51 -28.09 28.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.161 0.505 . . . . 3.15 110.403 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 329' ' ' GLU . . . . . 0.747 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 7.4 pt-20 -149.52 158.95 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.57 110.048 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 31.7 mm -72.36 125.18 91.47 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 0.28 112.26 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.82 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 18.8 Cg_endo -64.71 146.93 89.54 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.329 2.686 . . . . 0.29 112.35 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.8 p -95.01 34.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 1.66 111.748 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.2 30.62 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.604 -0.807 . . . . 0.46 111.813 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.1 p -65.09 108.15 1.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 0.58 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.445 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.5 t90 -86.34 145.16 27.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.467 -0.788 . . . . 0.29 110.084 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.574 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.2 mtt180 -118.84 134.35 55.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 1.99 110.792 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.77 173.28 9.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.533 -0.303 . . . . 0.63 110.318 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 13.8 m -53.53 -44.53 69.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.836 0.35 . . . . 1.47 111.06 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 14.8 m -56.78 -43.37 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 1.67 111.206 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 92.0 m -63.79 -42.31 97.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.95 0.405 . . . . 0.57 111.137 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.85 110.8 -177.538 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.82 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.188 -0.301 . . . . 0.29 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 23.4 ttm-85 -75.31 139.68 42.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.529 -0.915 . . . . 0.69 108.529 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.77 143.36 41.08 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.621 -0.432 . . . . 0.95 111.371 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.75 110.841 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.781 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.61 -0.515 . . . . 1.25 109.61 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.14 132.41 45.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.933 -0.576 . . . . 1.11 109.519 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 297' ' ' ASP . . . . . 0.491 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 21.5 m-20 -90.31 6.08 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.49 111.34 -169.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.6 131.68 31.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.217 0.532 . . . . 2.53 110.017 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.7 t -59.79 137.92 57.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.088 -0.96 . . . . 0.21 111.67 -173.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.536 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -67.53 -12.71 60.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.754 -0.657 . . . . 0.31 111.602 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 322' ' ' CYS . 88.4 t -83.25 -66.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.31 111.272 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.4 p -114.66 6.24 15.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.439 0.533 . . . . 0.34 112.439 -173.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 59.6 30.59 20.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.304 0.573 . . . . 2.38 111.848 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.56 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 48.0 t0 -105.95 159.92 15.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.42 -0.809 . . . . 1.54 109.531 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -113.14 -166.04 16.43 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.034 -0.603 . . . . 0.7 112.032 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 104.81 -112.19 3.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.452 -0.88 . . . . 0.4 112.553 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.67 77.73 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 1.91 110.534 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.98 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -99.15 150.38 22.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.365 -0.834 . . . . 0.24 111.947 -175.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.66 111.57 19.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.494 -0.776 . . . . 0.21 109.393 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.987 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 43.5 t -94.68 147.94 22.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.727 -0.67 . . . . 1.36 111.533 -174.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.602 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.6 t -74.23 147.91 42.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.03 -0.986 . . . . 0.2 110.185 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.45 -67.27 0.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.837 -0.345 . . . . 0.66 111.238 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.13 88.56 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.871 -0.68 . . . . 0.37 113.65 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 77.1 m -130.43 126.71 22.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 117.337 0.569 . . . . 1.34 110.86 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.93 -20.69 45.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.773 2.982 . . . . 0.52 114.976 -173.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 68.4 mtt-85 -59.17 136.73 58.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.397 0.518 . . . . 1.3 112.397 -177.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -118.34 151.99 36.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.368 -0.833 . . . . 0.14 109.164 173.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.507 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 53.2 m-85 -134.51 169.43 17.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.499 -0.318 . . . . 0.21 110.833 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -95.89 146.18 24.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.128 -0.693 . . . . 0.18 109.128 170.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.646 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.8 mt -56.19 -54.14 48.74 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.17 0.293 . . . . 0.27 111.566 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -73.39 -20.22 60.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.069 -0.514 . . . . 0.2 111.931 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 72.0 m -77.19 -23.35 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.21 111.115 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.21 155.01 41.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.2 111.155 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 2.9 m -138.72 109.13 7.84 Favored Pre-proline 0 N--CA 1.434 -1.274 0 CA-C-N 115.977 -0.556 . . . . 0.93 110.17 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.0 Cg_exo -69.96 144.59 77.52 Favored 'Cis proline' 0 C--N 1.345 0.381 0 C-N-CA 124.1 -1.208 . . . . 0.61 112.336 -1.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 7.0 Cg_exo -70.52 141.33 41.87 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.816 2.344 . . . . 0.42 112.331 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.3 mm? -91.59 124.26 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.239 -0.652 . . . . 1.03 109.239 175.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -86.29 -21.1 27.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.413 0.625 . . . . 3.15 110.165 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -137.11 152.22 49.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.139 -0.937 . . . . 1.57 110.171 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 32.6 mm -81.89 117.1 67.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.187 0.518 . . . . 0.28 111.579 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 16.7 Cg_endo -67.7 138.05 44.01 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.857 2.371 . . . . 0.29 112.964 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 23.2 m -96.37 43.93 1.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.835 0.826 . . . . 1.66 110.33 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -155.6 -172.26 22.98 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.132 -0.94 . . . . 0.46 111.296 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 24.5 p -69.5 105.37 2.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.113 0.482 . . . . 0.58 110.604 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.0 t90 -88.8 143.56 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.29 110.19 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 91.1 mtt180 -114.11 138.03 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.99 111.456 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 337' ' ' CYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 29.4 p -86.95 -175.64 5.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.422 -0.354 . . . . 0.63 110.05 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 1.5 p -55.97 -46.86 78.51 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.9 0.704 . . . . 1.47 112.9 -176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.0 t -56.95 -42.33 79.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.72 0.295 . . . . 1.67 111.211 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.0 m -65.08 -42.34 94.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.57 111.006 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 341' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.2 mt . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 0.85 111.118 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.989 -0.374 . . . . 0.29 109.989 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.987 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 24.7 ttm-85 -90.74 73.69 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.69 110.118 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 134.81 47.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.035 -0.529 . . . . 0.95 111.239 -177.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.98 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.2 mtpp . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.75 110.38 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.721 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 2.6 p30 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.637 -0.505 . . . . 1.25 109.637 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 296' ' ' GLU . . . . . 0.535 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 58.7 mt-10 -61.84 150.64 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.912 0.387 . . . . 1.11 110.292 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -108.06 4.98 25.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.785 -0.82 . . . . 0.49 108.785 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.65 124.27 18.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.545 -1.207 . . . . 2.53 108.762 177.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.631 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 22.7 t -53.38 137.89 34.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.664 -0.698 . . . . 0.21 111.415 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -62.69 -16.87 59.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.31 111.543 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.3 t -81.37 -60.86 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.946 -0.57 . . . . 0.31 111.746 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 13.3 p -120.97 3.74 10.49 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.502 0.556 . . . . 0.34 112.502 -173.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 36.1 mmt180 58.1 34.06 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.132 0.573 . . . . 2.38 112.337 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.542 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 37.2 t0 -105.32 164.69 11.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 1.54 109.255 174.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -110.79 -164.5 18.71 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.062 -0.59 . . . . 0.7 111.933 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 113.94 -131.54 9.99 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.846 -0.693 . . . . 0.4 111.891 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.62 83.44 4.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.089 0.471 . . . . 1.91 110.342 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.543 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 91.9 mt -89.8 146.79 24.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.327 -0.851 . . . . 0.24 111.811 -177.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.534 HG13 ' HB1' ' B' ' 1' ' ' ALA . 4.6 tt -123.58 107.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.125 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.812 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 41.8 t -98.68 146.63 25.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.271 0.558 . . . . 1.36 111.342 -174.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 38.8 t -74.65 152.14 39.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.125 -0.943 . . . . 0.2 111.352 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.556 ' HA ' HH21 ' B' ' 2' ' ' ARG . 20.3 t70 -60.68 -68.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.72 0.295 . . . . 0.66 111.549 175.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -82.51 -5.07 89.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.937 -0.649 . . . . 0.37 113.66 -172.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 90.9 m -129.22 128.38 23.27 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.985 0.421 . . . . 1.34 110.781 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.4 -21.27 44.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 124.041 3.16 . . . . 0.52 113.931 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.535 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 90.7 mtt180 -60.29 127.32 31.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 1.3 112.234 -175.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -111.36 148.66 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.902 -1.044 . . . . 0.14 108.513 175.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.582 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 40.4 m-85 -131.39 171.83 12.9 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.973 0.416 . . . . 0.21 111.17 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 37.0 m80 -99.88 146.28 26.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.705 -0.85 . . . . 0.18 108.705 169.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.6 mt -55.37 -52.45 63.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.852 0.316 . . . . 0.27 111.852 -173.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.12 -23.29 61.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.2 111.944 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.575 ' HB3' HG11 ' A' ' 301' ' ' VAL . 83.3 m -75.19 -25.26 58.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.409 -0.359 . . . . 0.21 111.195 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.74 159.94 26.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.957 0.408 . . . . 0.2 111.707 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 33.3 t -139.26 112.27 7.94 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.93 109.726 174.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.505 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 8.0 Cg_exo -74.06 140.69 68.7 Favored 'Cis proline' 0 C--O 1.236 0.388 0 C-N-CA 123.901 -1.291 . . . . 0.61 112.07 -0.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.0 Cg_exo -68.31 141.19 50.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.16 2.573 . . . . 0.42 112.696 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.559 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 79.7 mt -90.81 140.28 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.502 -0.772 . . . . 1.03 110.598 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -92.82 -22.82 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 3.15 109.819 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -140.86 165.27 27.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.304 -0.862 . . . . 1.57 110.39 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.482 HD13 HD21 ' A' ' 320' ' ' LEU . 25.1 mm -84.35 125.81 71.02 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.28 111.833 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.669 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.2 Cg_endo -61.98 138.84 75.81 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.081 2.52 . . . . 0.29 112.733 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 26.2 m -93.26 46.97 1.23 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.689 . . . . 1.66 111.278 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.82 37.57 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.17 -0.772 . . . . 0.46 111.17 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.3 p -66.73 120.71 13.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 0.58 110.665 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -96.06 148.82 22.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.119 -0.491 . . . . 0.29 110.352 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.582 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.1 mtt180 -124.39 133.63 53.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 1.99 110.75 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.4 p -80.14 179.48 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.52 . . . . 0.63 110.747 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.5 p -53.46 -47.14 70.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 1.47 111.849 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 27.5 t -56.42 -42.92 78.83 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.141 -0.481 . . . . 1.67 111.157 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.9 m -61.87 -42.22 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.014 0.435 . . . . 0.57 111.276 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.85 110.783 -176.752 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.669 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.824 -0.435 . . . . 0.29 109.824 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 40.9 ttm-85 -75.29 77.77 2.39 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.098 0.475 . . . . 0.69 110.205 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 308' ' ' LEU . 8.6 p -81.43 140.53 34.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.95 111.392 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.656 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 52.5 mtpt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.75 111.139 -176.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.747 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.158 0.504 . . . . 1.25 110.13 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.68 162.4 23.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.668 . . . . 1.11 110.008 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -104.61 16.37 26.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.49 111.383 -172.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.5 150.64 31.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.294 0.568 . . . . 2.53 110.396 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 53.6 t -73.08 137.29 45.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.869 -1.06 . . . . 0.21 111.305 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.431 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.67 -15.63 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.668 -0.696 . . . . 0.31 111.225 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 322' ' ' CYS . 73.0 t -82.97 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.683 -0.69 . . . . 0.31 111.736 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 15.4 p -109.62 -0.06 18.84 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.203 0.446 . . . . 0.34 112.203 -172.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 63.39 21.9 13.01 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.663 0.385 . . . . 2.38 111.887 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.91 171.56 7.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.121 -0.696 . . . . 1.54 109.121 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.55 -167.68 14.36 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.098 -0.573 . . . . 0.7 112.067 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 117.32 -141.07 16.29 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.851 -0.69 . . . . 0.4 111.797 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.96 87.4 0.37 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.392 0.615 . . . . 1.91 110.372 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 62.5 mt -91.84 147.47 22.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.349 -0.841 . . . . 0.24 111.549 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.457 HG13 ' HB1' ' B' ' 1' ' ' ALA . 7.7 tt -120.84 107.19 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.399 -0.963 . . . . 0.21 108.399 171.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.759 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.8 t -98.71 147.9 24.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.417 -0.81 . . . . 1.36 110.758 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.8 t -73.29 150.04 42.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.2 111.102 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.404 ' HA ' HH21 ' B' ' 2' ' ' ARG . 33.9 t70 -59.6 -67.45 0.38 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.378 -0.374 . . . . 0.66 111.154 177.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -86.67 6.51 82.45 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.734 -0.746 . . . . 0.37 113.822 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 85.2 m -135.89 128.47 17.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.085 0.442 . . . . 1.34 110.348 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.48 -11.88 33.73 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.064 2.509 . . . . 0.52 113.916 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -62.51 135.77 57.57 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.026 0.441 . . . . 1.3 111.427 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -114.61 150.11 35.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.14 109.15 175.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.48 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.1 m-85 -133.16 168.78 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.724 0.297 . . . . 0.21 110.908 -176.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.629 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 36.5 m80 -97.24 145.27 26.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.258 -0.645 . . . . 0.18 109.258 170.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.662 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.0 mt -52.81 -51.77 59.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.05 0.389 . . . . 0.27 112.05 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.12 -18.68 55.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.2 111.813 -174.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 77.5 m -77.01 -24.88 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.374 . . . . 0.21 110.727 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.42 156.25 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.995 -0.548 . . . . 0.2 111.4 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.8 t -140.49 117.07 7.84 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.33 -0.618 . . . . 0.93 109.33 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.57 134.46 31.12 Favored 'Cis proline' 0 C--N 1.343 0.256 0 C-N-CA 123.481 -1.466 . . . . 0.61 112.051 -0.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.42 141.03 45.45 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.807 2.338 . . . . 0.42 112.539 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -89.43 126.43 35.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.755 -0.657 . . . . 1.03 109.834 178.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.81 -25.13 38.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.607 . . . . 3.15 109.959 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.36 162.85 34.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.063 -0.971 . . . . 1.57 109.891 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.412 ' CD1' HD21 ' A' ' 320' ' ' LEU . 43.2 mm -81.48 123.79 80.71 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.797 -0.638 . . . . 0.28 111.335 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.16 133.63 36.15 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.46 2.107 . . . . 0.29 112.055 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.1 m -87.67 53.19 2.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.251 0.548 . . . . 1.66 110.986 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.19 -168.38 36.29 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.472 -0.651 . . . . 0.46 111.472 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.4 p -65.54 117.51 8.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 0.58 111.143 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.519 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.3 t90 -96.83 145.77 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.448 . . . . 0.29 109.95 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.539 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.9 mtt180 -123.88 136.49 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.903 -0.59 . . . . 1.99 110.914 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.6 p -78.51 176.45 9.4 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.236 -0.438 . . . . 0.63 110.595 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -46.93 65.71 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.224 0.327 . . . . 1.47 111.573 -177.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.9 t -57.52 -43.2 84.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.089 -0.505 . . . . 1.67 111.003 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.4 m -65.62 -41.88 92.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.57 111.314 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 0.85 110.633 -178.555 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.457 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.837 -0.431 . . . . 0.29 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.759 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.0 ttm-85 -73.55 83.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.69 110.307 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.38 140.26 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.098 0.475 . . . . 0.95 112.055 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.747 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 50.5 mtpt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 0.75 110.511 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.694 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.516 -0.343 0 N-CA-C 109.263 -0.643 . . . . 1.25 109.263 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.37 140.51 52.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.99 -0.55 . . . . 1.11 110.352 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -91.99 5.45 50.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.49 110.61 -173.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.68 133.36 36.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 2.53 109.837 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 40.4 t -63.05 137.71 58.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.791 -1.095 . . . . 0.21 112.084 -172.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.564 ' HB1' HH11 ' A' ' 316' ' ' ARG . . . -65.37 -16.83 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.42 -0.809 . . . . 0.31 111.403 178.104 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 322' ' ' CYS . 97.6 t -81.62 -70.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.876 -0.602 . . . . 0.31 111.33 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.91 -1.61 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.328 0.492 . . . . 0.34 112.328 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.49 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 26.3 mmt180 62.32 26.89 16.09 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.41 0.624 . . . . 2.38 112.18 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -104.6 176.54 5.12 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.337 -0.847 . . . . 1.54 109.174 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.76 -173.06 16.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.131 -1.033 . . . . 0.7 111.599 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 120.66 -125.53 6.27 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.767 -0.73 . . . . 0.4 113.081 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -78.64 85.21 4.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 1.91 110.196 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -99.23 140.89 32.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.518 -0.764 . . . . 0.24 111.76 -174.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 11.2 tt -123.98 123.52 66.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.231 -0.895 . . . . 0.21 108.698 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 50.0 t -112.08 144.38 41.53 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.99 -0.55 . . . . 1.36 110.393 -170.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.762 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 21.1 t -74.43 150.75 39.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.785 . . . . 0.2 111.027 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.578 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 29.3 t70 -60.13 -67.01 0.43 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.525 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.44 -11.25 71.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.004 0.762 . . . . 0.37 115.004 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 12.9 p -134.48 133.85 21.91 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 118.517 1.158 . . . . 1.34 110.782 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.56 -10.44 21.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.715 2.943 . . . . 0.52 113.978 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.564 HH11 ' HB1' ' A' ' 300' ' ' ALA . 49.8 mtt180 -62.43 138.19 58.41 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.937 0.398 . . . . 1.3 111.372 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -121.6 149.66 42.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.105 -0.702 . . . . 0.14 109.105 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.636 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 59.1 m-85 -132.36 167.93 19.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.872 0.368 . . . . 0.21 110.849 -173.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.594 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 51.4 m80 -96.87 146.34 25.02 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.601 -0.889 . . . . 0.18 108.601 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 81.8 mt -54.4 -51.4 64.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.765 0.257 . . . . 0.27 111.189 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.95 -18.69 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.2 112.012 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.617 ' HB3' HG11 ' A' ' 301' ' ' VAL . 88.5 m -77.57 -23.47 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.75 0.31 . . . . 0.21 111.093 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.9 153.02 44.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.2 111.087 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 324' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 2.9 p -139.09 111.06 7.87 Favored Pre-proline 0 N--CA 1.434 -1.258 0 CA-C-N 115.628 -0.714 . . . . 0.93 110.071 175.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 324' ' ' SER . 12.2 Cg_exo -71.57 139.55 59.82 Favored 'Cis proline' 0 C--O 1.234 0.305 0 C-N-CA 123.668 -1.388 . . . . 0.61 112.479 -0.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -67.84 147.26 74.53 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.072 2.514 . . . . 0.42 112.897 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 93.5 mt -92.73 130.93 38.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.589 -0.732 . . . . 1.03 110.324 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -87.71 -22.17 24.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.213 0.53 . . . . 3.15 110.137 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.76 162.39 37.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.617 -0.72 . . . . 1.57 110.062 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 45.6 mm -79.85 117.94 69.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.008 -0.542 . . . . 0.28 111.083 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 335' ' ' TRP . 53.4 Cg_exo -49.36 141.17 25.47 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.869 3.046 . . . . 0.29 113.093 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 16.2 m -94.72 32.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.66 111.129 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -170.46 -164.24 25.85 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.827 -0.701 . . . . 0.46 111.877 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.6 p -64.72 110.2 2.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.58 111.398 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.441 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -97.05 145.46 25.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.29 110.724 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.762 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.8 mtt180 -123.39 141.17 52.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 1.99 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.63 173.11 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.63 109.271 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 8.0 m -54.45 -45.95 73.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 1.47 110.953 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 21.8 t -60.6 -43.82 96.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.216 -0.447 . . . . 1.67 110.936 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.5 m -65.31 -40.53 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.447 -0.342 . . . . 0.57 111.609 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.85 109.817 176.144 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.099 -0.334 . . . . 0.29 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 31.7 ttm-85 -67.38 138.72 56.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 107.636 -1.246 . . . . 0.69 107.636 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.63 148.73 49.09 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.014 -0.674 . . . . 0.95 110.999 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.644 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.2 mtpp . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 0.75 109.771 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.738 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 108.965 -0.754 . . . . 1.25 108.965 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -87.22 138.15 31.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.527 -0.761 . . . . 1.11 110.839 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.75 35.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.899 -0.591 . . . . 0.49 111.704 -172.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -155.95 143.15 19.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.585 0.707 . . . . 2.53 110.578 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.9 t -72.29 136.81 46.36 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.713 -1.13 . . . . 0.21 110.754 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.465 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -64.57 -15.46 61.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.31 111.464 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.547 HG11 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -81.95 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.31 111.496 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.4 p -110.43 6.05 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.28 0.474 . . . . 0.34 112.28 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 303' ' ' ARG . 28.9 mmt180 58.36 31.18 20.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.3 0.572 . . . . 2.38 111.872 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.536 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 55.8 t0 -111.65 159.68 17.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.471 -0.786 . . . . 1.54 109.195 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -111.08 -160.14 16.52 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.996 -0.621 . . . . 0.7 111.986 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.51 -123.91 7.02 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.419 -0.896 . . . . 0.4 112.222 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.43 79.22 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.576 0.703 . . . . 1.91 110.523 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.649 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 64.7 mt -90.41 153.0 20.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.24 112.281 -175.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 309' ' ' ILE . . . . . 0.428 HG13 ' HB1' ' B' ' 1' ' ' ALA . 5.7 tt -127.39 113.18 30.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.734 -1.121 . . . . 0.21 108.57 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.691 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 49.6 t -102.99 146.39 28.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.078 -0.51 . . . . 1.36 110.854 -173.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.743 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.2 t -75.55 152.3 37.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.451 -0.795 . . . . 0.2 111.43 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.632 ' HA ' HH21 ' B' ' 2' ' ' ARG . 34.5 t70 -60.71 -66.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.15 -0.477 . . . . 0.66 111.1 173.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.0 -16.54 76.66 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 114.949 0.74 . . . . 0.37 114.949 -171.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 314' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 30.1 p -134.39 133.75 21.91 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 117.978 0.889 . . . . 1.34 111.12 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 315' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 36.8 Cg_exo -62.25 -6.74 8.8 Favored 'Trans proline' 0 N--CA 1.477 0.532 0 C-N-CA 124.087 3.192 . . . . 0.52 114.308 -174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 316' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 74.0 mtt180 -63.84 130.02 42.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.003 0.43 . . . . 1.3 111.13 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -109.93 158.34 18.32 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.639 -0.874 . . . . 0.14 108.639 172.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.524 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 35.1 m-85 -139.45 171.48 14.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.856 0.36 . . . . 0.21 110.914 -176.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.536 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 45.2 m80 -99.15 145.88 26.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.664 -0.865 . . . . 0.18 108.664 168.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 64.2 mt -54.56 -53.34 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.81 0.338 . . . . 0.27 111.832 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.27 58.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.2 111.742 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.547 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.3 m -77.77 -23.55 49.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.356 -0.383 . . . . 0.21 111.465 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 323' ' ' LEU . . . . . 0.613 HD13 HD23 ' A' ' 327' ' ' LEU . 23.8 mt -63.36 159.42 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.487 . . . . 0.2 112.076 177.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 32.0 t -139.33 111.87 7.83 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 115.767 -0.652 . . . . 0.93 109.443 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.4 Cg_exo -69.31 143.99 74.48 Favored 'Cis proline' 0 C--N 1.345 0.346 0 C-N-CA 123.693 -1.378 . . . . 0.61 112.11 -2.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.0 Cg_exo -71.03 135.53 27.65 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.004 2.47 . . . . 0.42 112.235 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.613 HD23 HD13 ' A' ' 323' ' ' LEU . 4.4 mm? -89.07 126.38 35.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.087 -0.506 . . . . 1.03 110.034 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -90.15 -19.61 24.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.365 0.602 . . . . 3.15 110.429 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.74 149.17 43.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 1.57 110.041 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.405 HD13 HD21 ' A' ' 320' ' ' LEU . 38.5 mm -76.33 120.16 80.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.464 . . . . 0.28 111.168 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -58.32 137.0 78.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.376 2.718 . . . . 0.29 112.44 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 49.1 m -95.55 47.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.763 -0.653 . . . . 1.66 110.535 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.78 -168.18 35.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.752 -0.658 . . . . 0.46 111.806 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.86 116.84 7.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.442 . . . . 0.58 111.15 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -99.95 147.14 25.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.255 -0.43 . . . . 0.29 111.109 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.743 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 63.6 mtt180 -126.0 136.62 53.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 1.99 110.45 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -69.59 172.2 7.74 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.551 -0.295 . . . . 0.63 110.87 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.8 m -55.06 -42.52 72.84 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.901 0.381 . . . . 1.47 110.885 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.2 m -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 1.67 111.177 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 73.5 m -66.51 -42.6 87.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.264 -0.426 . . . . 0.57 110.938 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.85 110.802 -178.245 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.706 -0.479 . . . . 0.29 109.706 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.691 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 43.8 ttm-85 -77.79 76.18 4.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 0.69 110.207 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -77.35 146.76 36.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.188 0.518 . . . . 0.95 111.693 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.738 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.7 mtpp . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.75 110.076 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.764 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.825 -0.435 . . . . 1.25 109.825 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.19 137.7 48.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.192 -0.458 . . . . 1.11 110.24 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 297' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.6 m-20 -89.73 13.24 14.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.272 0.558 . . . . 0.49 109.657 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 298' ' ' GLU . . . . . 0.426 ' HB3' ' C ' ' A' ' 303' ' ' ARG . 6.6 mp0 -132.43 145.61 51.33 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.284 -0.871 . . . . 2.53 108.723 174.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.2 t -70.96 138.96 50.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.468 -0.787 . . . . 0.21 110.781 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -62.71 -22.22 66.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.424 . . . . 0.31 111.3 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.541 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -75.74 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.31 111.538 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -118.17 2.56 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.804 0.668 . . . . 0.34 112.804 -172.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 303' ' ' ARG . . . . . 0.426 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 26.1 mmm180 57.14 29.77 17.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.155 0.582 . . . . 2.38 111.27 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.606 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 6.4 t0 -99.19 165.71 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.457 -0.942 . . . . 1.54 108.457 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.31 -170.41 15.71 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.724 -0.751 . . . . 0.7 112.252 -175.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 112.71 -119.36 4.9 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.463 -0.875 . . . . 0.4 112.596 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.81 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.76 0.791 . . . . 1.91 110.115 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.898 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 86.2 mt -106.23 150.95 25.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.519 -1.219 . . . . 0.24 111.703 -172.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.0 tt -131.88 114.51 24.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.306 -0.861 . . . . 0.21 108.811 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.775 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.7 t -103.12 147.37 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.964 -0.562 . . . . 1.36 110.972 -172.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.0 t -74.43 152.15 39.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.423 -0.808 . . . . 0.2 111.014 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.422 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.3 t70 -60.2 -68.22 0.31 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.431 -0.349 . . . . 0.66 111.221 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.24 -2.85 90.39 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.059 -0.591 . . . . 0.37 113.994 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 75.9 m -129.97 129.89 23.06 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 117.207 0.504 . . . . 1.34 110.447 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.92 -9.04 23.44 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 123.228 2.619 . . . . 0.52 113.643 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -62.41 131.63 49.88 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.896 0.379 . . . . 1.3 111.183 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.66 153.96 26.84 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.814 -0.81 . . . . 0.14 108.814 172.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.568 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 47.4 m-85 -135.78 163.44 30.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.75 0.31 . . . . 0.21 111.131 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.606 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 40.3 m80 -93.51 147.05 23.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.926 -0.768 . . . . 0.18 108.926 169.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.2 mt -55.95 -54.37 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.679 0.276 . . . . 0.27 111.351 -173.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.42 -23.27 61.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.2 112.178 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 81.6 m -76.0 -22.39 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.21 110.861 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 323' ' ' LEU . . . . . 0.504 HD13 HD23 ' A' ' 327' ' ' LEU . 20.1 mt -71.49 156.9 38.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.311 0.577 . . . . 0.2 111.59 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 18.7 t -140.39 110.33 6.92 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 108.572 -0.899 . . . . 0.93 108.572 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 325' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.4 Cg_endo -74.26 144.4 80.86 Favored 'Cis proline' 0 C--O 1.233 0.231 0 C-N-CA 123.251 -1.562 . . . . 0.61 112.626 2.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 326' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.9 Cg_exo -71.94 127.73 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.82 2.347 . . . . 0.42 112.018 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.504 HD23 HD13 ' A' ' 323' ' ' LEU . 4.0 mm? -79.02 124.35 28.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.157 -0.474 . . . . 1.03 110.243 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 328' ' ' ARG . . . . . 0.6 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 15.2 ptm180 -74.86 -25.52 59.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 3.15 110.756 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 329' ' ' GLU . . . . . 0.6 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 5.1 pt-20 -157.15 160.47 38.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.545 -0.752 . . . . 1.57 110.054 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 28.1 mm -69.44 125.68 92.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 112.714 0.635 . . . . 0.28 112.714 -172.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 331' ' ' PRO . . . . . 0.777 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 19.6 Cg_endo -64.46 142.65 79.33 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.486 2.791 . . . . 0.29 112.178 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 14.8 m -96.07 36.63 1.3 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.907 -0.588 . . . . 1.66 111.453 -172.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -164.43 -165.85 22.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.655 -0.783 . . . . 0.46 111.833 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 2.0 p -65.19 109.8 2.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.45 . . . . 0.58 110.913 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.479 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.6 t90 -92.13 141.21 28.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.29 110.028 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.523 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 69.6 mtt85 -119.17 132.9 56.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.739 -0.664 . . . . 1.99 111.025 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.3 -179.3 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.381 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.7 p -53.2 -46.74 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 1.47 111.9 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 4.8 m -54.22 -47.85 71.7 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.126 -0.488 . . . . 1.67 111.392 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 71.6 m -66.23 -42.54 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.57 111.115 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.176 0.512 . . . . 0.85 110.602 -179.044 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.777 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.999 -0.371 . . . . 0.29 109.999 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.775 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -80.92 69.2 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.401 -0.592 . . . . 0.69 109.401 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.45 141.27 48.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.57 -0.741 . . . . 0.95 111.36 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.898 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.0 mtpp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.75 109.827 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 295' ' ' ASN . . . . . 0.804 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 109.617 -0.512 . . . . 1.25 109.617 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.12 141.99 31.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.392 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 297' ' ' ASP . . . . . 0.582 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 7.2 m-20 -91.02 35.36 0.91 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.072 0.463 . . . . 0.49 111.088 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.34 144.72 29.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.46 0.648 . . . . 2.53 110.29 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 299' ' ' CYS . . . . . 0.715 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.0 t -77.91 137.29 38.27 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.807 -1.088 . . . . 0.21 110.34 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 300' ' ' ALA . . . . . 0.47 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.85 -16.83 64.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.31 111.068 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 301' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 322' ' ' CYS . 82.1 t -80.81 -61.17 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.31 112.006 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 8.4 p -120.79 9.31 10.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.733 0.642 . . . . 0.34 112.733 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 59.83 28.15 17.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.06 0.457 . . . . 2.38 111.582 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 304' ' ' ASP . . . . . 0.543 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 52.0 t0 -107.0 167.04 10.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 1.54 109.819 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -118.8 -167.96 14.01 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.426 -0.67 . . . . 0.7 111.426 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 114.98 -119.15 4.54 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.365 -0.921 . . . . 0.4 111.814 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.2 82.89 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.869 0.366 . . . . 1.91 110.077 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 308' ' ' LEU . . . . . 0.921 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -99.5 144.39 28.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 0.24 111.607 -175.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.5 tt -127.98 112.26 26.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.395 -0.82 . . . . 0.21 109.086 172.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 310' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 44.3 t -96.47 139.15 33.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.636 . . . . 1.36 111.247 -173.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 311' ' ' CYS . . . . . 0.714 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 36.3 t -75.23 146.79 40.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.727 -1.124 . . . . 0.2 111.086 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 312' ' ' ASP . . . . . 0.618 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.8 t70 -61.86 -64.92 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.66 110.965 174.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.52 -27.96 55.14 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.734 -0.666 . . . . 0.37 114.606 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 29.5 p -136.41 133.0 19.06 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 117.587 0.694 . . . . 1.34 110.262 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.63 0.42 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.378 2.719 . . . . 0.52 113.942 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -60.28 140.12 57.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 1.3 110.619 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 317' ' ' ALA . . . . . 0.715 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -116.99 157.14 26.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.653 -0.869 . . . . 0.14 108.653 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 318' ' ' PHE . . . . . 0.539 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.3 m-85 -137.1 171.37 14.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.494 0.188 . . . . 0.21 110.57 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 319' ' ' HIS . . . . . 0.561 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 53.6 m80 -100.59 146.06 27.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.017 -0.735 . . . . 0.18 109.017 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 320' ' ' LEU . . . . . 0.536 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.8 mt -55.85 -51.83 66.17 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.662 0.245 . . . . 0.27 111.662 -173.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.69 -19.84 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.266 0.469 . . . . 0.2 112.266 -176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 322' ' ' CYS . . . . . 0.597 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -78.26 -24.45 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.21 110.859 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 323' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 318' ' ' PHE . 75.6 mt -70.76 154.26 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.312 -0.404 . . . . 0.2 111.245 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 t -140.32 117.34 8.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.34 -0.615 . . . . 0.93 109.34 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.25 135.68 38.04 Favored 'Cis proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.36 -1.517 . . . . 0.61 112.063 -2.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -63.63 147.15 92.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.22 2.613 . . . . 0.42 113.006 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 327' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -95.67 127.37 41.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.63 . . . . 1.03 109.793 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -87.75 -20.89 25.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.445 0.64 . . . . 3.15 110.3 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -137.69 153.67 49.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 1.57 110.345 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 330' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 320' ' ' LEU . 31.1 mm -80.16 117.68 68.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.074 -0.512 . . . . 0.28 110.942 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.06 142.95 47.96 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.67 2.247 . . . . 0.29 112.604 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 36.6 m -103.28 106.85 17.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.873 -0.603 . . . . 1.66 109.728 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.54 -169.76 25.02 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.008 -0.837 . . . . 0.46 111.008 -173.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 p -77.22 106.72 9.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.292 0.568 . . . . 0.58 111.003 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 335' ' ' TRP . . . . . 0.495 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.6 t90 -92.85 143.89 25.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.873 -0.603 . . . . 0.29 109.719 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 336' ' ' ARG . . . . . 0.714 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.6 mtt180 -126.68 140.49 52.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.928 0.394 . . . . 1.99 111.024 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 337' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 18.5 p -76.65 177.68 7.33 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.933 -0.576 . . . . 0.63 109.973 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 7.8 p -56.53 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.625 0.25 . . . . 1.47 111.474 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.0 t -58.94 -42.55 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 1.67 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 89.2 m -65.81 -40.52 91.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.646 -0.252 . . . . 0.57 111.495 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 341' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.6 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.85 110.55 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.933 -0.395 . . . . 0.29 109.933 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.673 ' HD2' HD22 ' A' ' 295' ' ' ASN . 11.2 ttp180 -75.11 84.31 2.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.324 0.583 . . . . 0.69 109.678 -176.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 142.9 29.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.95 111.257 -171.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.921 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.4 mtpp . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.948 -0.569 . . . . 0.75 110.6 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.873 -0.491 . . . . 7.93 111.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -84.9 135.73 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.049 -0.352 . . . . 6.29 110.049 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 92.9 mmm -81.63 71.84 8.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 6.45 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -80.33 84.04 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.516 -0.765 . . . . 3.16 109.902 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.2 166.65 21.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 4.62 111.59 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -126.93 142.58 51.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.21 -0.904 . . . . 3.4 108.852 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.753 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -129.16 135.21 48.56 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.664 -0.495 . . . . 1.25 109.664 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.0 136.57 48.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.749 -0.659 . . . . 1.11 110.531 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -87.16 0.93 54.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.215 -0.661 . . . . 0.49 109.215 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -125.44 138.08 54.0 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.543 -0.91 . . . . 2.53 108.543 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.631 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 33.5 t -66.05 138.7 57.95 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.261 -0.427 . . . . 0.21 111.293 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -66.36 -15.39 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.519 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 322' ' ' CYS . 87.5 t -81.54 -61.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.566 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.84 6.98 10.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.447 0.536 . . . . 0.34 112.447 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 24.8 mmm180 54.26 34.66 20.93 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.271 0.628 . . . . 2.38 111.584 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.584 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 19.0 t0 -102.74 166.16 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.125 -0.695 . . . . 1.54 109.125 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.758 ' O ' ' HD2' ' B' ' 8' ' ' ARG . . . -109.17 -166.4 20.45 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.443 -0.884 . . . . 0.7 111.068 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 105.19 -125.74 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.4 112.696 176.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.18 88.47 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.322 0.582 . . . . 1.91 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.6 mt -104.11 147.74 27.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.361 -0.836 . . . . 0.24 111.564 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.413 HG13 ' HB1' ' B' ' 1' ' ' ALA . 9.6 tt -130.31 111.23 20.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.59 -0.893 . . . . 0.21 108.59 173.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -100.43 147.23 26.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 1.36 111.372 -171.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.4 t -74.94 151.6 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.847 -1.069 . . . . 0.2 111.5 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.714 ' HA ' HH21 ' B' ' 2' ' ' ARG . 22.3 t70 -60.76 -68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.144 -0.48 . . . . 0.66 111.065 175.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -79.79 -12.57 83.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.986 -0.626 . . . . 0.37 113.972 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 100.0 m -122.33 131.03 24.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 117.22 0.51 . . . . 1.34 110.754 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.83 -13.07 37.3 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.468 2.778 . . . . 0.52 113.857 -174.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -60.02 134.25 56.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.124 0.488 . . . . 1.3 111.598 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.92 147.43 39.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.264 -0.88 . . . . 0.14 108.641 171.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 44.5 m-85 -129.69 164.64 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 121.054 -0.258 . . . . 0.21 111.008 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.584 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 37.9 m80 -89.34 146.12 24.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.413 -0.588 . . . . 0.18 109.413 170.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.66 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 78.6 mt -52.33 -55.71 19.72 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.462 0.476 . . . . 0.27 111.484 -174.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.45 -26.03 59.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.2 112.346 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.58 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.4 m -72.06 -24.07 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.693 0.283 . . . . 0.21 111.293 -177.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 327' ' ' LEU . 25.8 mt -66.33 159.18 27.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.284 0.564 . . . . 0.2 112.181 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 40.6 t -139.74 108.2 7.09 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.338 -0.846 . . . . 0.93 109.415 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 13.5 Cg_exo -70.97 144.62 79.8 Favored 'Cis proline' 0 C--N 1.344 0.304 0 C-N-CA 123.747 -1.356 . . . . 0.61 112.599 0.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 8.0 Cg_exo -70.1 133.72 25.58 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.996 2.464 . . . . 0.42 112.551 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.66 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.0 mm? -79.66 131.4 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 1.03 109.342 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -100.5 -19.39 16.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.9 0.857 . . . . 3.15 108.904 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.71 151.2 36.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.383 -1.281 . . . . 1.57 109.55 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.477 ' HA ' ' HD3' ' A' ' 331' ' ' PRO . 39.8 mm -74.56 129.16 84.39 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.239 -0.437 . . . . 0.28 111.65 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 330' ' ' ILE . 1.3 Cg_endo -82.26 136.51 8.95 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.756 2.971 . . . . 0.29 112.802 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.3 t -92.65 113.56 25.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.067 -0.515 . . . . 1.66 109.651 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.05 -167.29 25.73 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.699 -0.762 . . . . 0.46 111.64 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.5 p -84.9 102.66 13.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.049 0.452 . . . . 0.58 109.917 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.455 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.0 t90 -85.65 143.05 28.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.729 -0.668 . . . . 0.29 110.229 -176.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.672 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.9 mtt180 -125.87 138.0 53.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 1.99 110.637 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.3 p -68.04 171.84 6.36 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.379 -0.373 . . . . 0.63 110.626 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 15.4 m -57.64 -42.24 83.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.519 0.199 . . . . 1.47 111.453 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.1 t -58.01 -42.67 85.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 1.67 110.756 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 87.8 m -64.5 -42.39 95.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.57 111.365 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.64 -20.21 62.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.107 0.479 . . . . 0.85 110.682 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -91.91 -8.75 45.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 1.93 110.13 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -90.97 24.82 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.564 . . . . 1.31 111.651 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 12.6 p -68.21 67.97 0.12 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.157 0.503 . . . . 2.69 110.957 171.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.52 -32.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 5.52 112.039 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -77.58 179.32 6.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.648 0.261 . . . . 6.73 111.233 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 347' ' ' GLU . 13.4 mp0 -57.15 122.34 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 7.68 110.015 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.36 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.402 0.62 . . . . 9.19 110.762 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.85 84.9 0.2 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.027 -0.988 . . . . 10.48 111.631 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -67.43 109.65 1.86 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.553 2.169 . . . . 12.51 111.464 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 351' ' ' ARG . 5.6 tpm_? -99.81 35.24 2.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.29 0.567 . . . . 14.87 110.513 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -73.75 97.37 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.509 . . . . 15.81 110.28 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.87 -2.1 48.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.095 -0.502 . . . . 17.69 110.315 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.627 -0.701 . . . . 18.81 109.947 -176.78 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.413 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.898 -0.408 . . . . 0.29 109.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.714 HH21 ' HA ' ' A' ' 312' ' ' ASP . 40.9 ttm-85 -80.23 67.03 5.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.261 -0.644 . . . . 0.69 109.261 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -75.72 142.31 42.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.577 -0.738 . . . . 0.95 111.363 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.753 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.0 mtpp -131.06 150.69 52.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.75 109.328 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -129.93 76.42 1.72 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 2.88 109.988 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.493 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 21.4 p -89.64 -173.78 4.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.687 -0.688 . . . . 1.03 110.762 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.16 136.37 35.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.451 -0.341 . . . . 0.9 110.437 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.758 ' HD2' ' O ' ' A' ' 305' ' ' GLY . 21.3 mmm-85 -69.07 143.6 54.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 3.09 109.248 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -102.36 -39.32 7.23 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.558 -0.534 . . . . 3.53 109.558 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.295 -0.866 . . . . 4.45 111.371 178.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.812 -0.515 . . . . 7.93 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -125.05 113.97 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.167 -0.308 . . . . 6.29 110.167 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 19.5 ttm -147.7 80.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.697 0.761 . . . . 6.45 110.867 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -122.2 111.97 17.61 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.015 -0.993 . . . . 3.16 108.873 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.05 155.83 12.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.398 . . . . 4.62 110.42 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -125.14 152.99 43.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.854 -0.424 . . . . 3.4 109.854 -172.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.728 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -126.86 136.0 51.75 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.763 -0.458 . . . . 1.25 109.763 177.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 148.87 51.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.968 0.413 . . . . 1.11 110.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -92.24 1.9 56.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.751 -0.833 . . . . 0.49 108.751 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 134.21 52.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.294 -0.866 . . . . 2.53 108.764 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 38.4 t -66.42 138.4 57.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.173 -0.467 . . . . 0.21 110.633 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.536 ' HA ' HH11 ' A' ' 303' ' ' ARG . . . -65.24 -16.47 63.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.31 111.348 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 322' ' ' CYS . 86.7 t -82.23 -63.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.962 -0.563 . . . . 0.31 111.527 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.69 3.97 13.99 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.128 0.418 . . . . 0.34 112.128 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.536 HH11 ' HA ' ' A' ' 300' ' ' ALA . 29.5 mmm180 56.7 32.69 21.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.372 0.669 . . . . 2.38 111.8 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.462 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.7 t70 -105.81 -179.88 4.07 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.216 -0.661 . . . . 1.54 109.216 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -124.63 -179.25 15.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.657 . . . . 0.7 112.02 -175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.68 -126.28 6.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.624 -0.798 . . . . 0.4 112.186 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -75.96 88.24 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.864 0.364 . . . . 1.91 110.263 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 91.6 mt -102.16 145.76 28.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.475 0.655 . . . . 0.24 112.128 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.6 tt -128.49 115.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.019 -0.992 . . . . 0.21 109.469 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.812 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -102.03 147.11 26.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.271 0.558 . . . . 1.36 111.07 -173.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.634 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 53.2 t -75.24 154.83 37.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.066 -0.97 . . . . 0.2 111.3 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.46 ' HA ' HH21 ' B' ' 2' ' ' ARG . 21.2 t70 -60.58 -69.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.746 0.276 . . . . 0.66 111.746 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -84.89 1.92 88.56 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.907 -0.663 . . . . 0.37 113.722 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 71.5 m -131.94 127.83 21.3 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.469 . . . . 1.34 110.742 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.83 -10.82 28.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.17 2.58 . . . . 0.52 113.482 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 316' ' ' ARG . 63.5 mtt85 -60.48 130.25 45.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.82 0.343 . . . . 1.3 111.073 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.7 154.38 23.94 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.811 -0.811 . . . . 0.14 108.811 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.533 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.8 m-85 -133.48 166.15 23.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.775 0.322 . . . . 0.21 111.166 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -96.53 146.43 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.804 -0.813 . . . . 0.18 108.804 169.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.91 -51.38 69.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.757 0.28 . . . . 0.27 111.757 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.84 -19.8 60.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.379 . . . . 0.2 111.817 -176.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.555 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.9 m -79.19 -19.36 51.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 0.21 111.001 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.72 156.27 39.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.09 0.471 . . . . 0.2 111.038 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 31.9 t -139.64 108.79 7.21 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 0.93 109.414 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 9.1 Cg_exo -73.91 144.27 80.47 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.961 -1.266 . . . . 0.61 112.702 0.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.54 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 8.2 Cg_exo -70.04 133.34 24.82 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.368 2.712 . . . . 0.42 112.519 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.95 129.76 34.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 1.03 110.668 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.878 ' HG2' ' HG3' ' A' ' 329' ' ' GLU . 0.0 OUTLIER -82.21 -25.99 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 3.15 110.828 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 329' ' ' GLU . . . . . 0.878 ' HG3' ' HG2' ' A' ' 328' ' ' ARG . 0.0 OUTLIER -144.71 157.58 44.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 1.57 110.374 177.096 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 331' ' ' PRO . 23.5 mm -75.4 122.04 86.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.563 -0.744 . . . . 0.28 112.411 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 330' ' ' ILE . 9.8 Cg_endo -60.2 138.47 81.63 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.06 2.506 . . . . 0.29 112.314 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.5 m -94.07 53.86 1.83 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.41 0.624 . . . . 1.66 110.816 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.25 -168.17 35.41 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.536 -0.756 . . . . 0.46 111.497 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.0 p -66.07 113.17 4.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.929 0.395 . . . . 0.58 110.552 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -90.62 148.12 22.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.29 109.689 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.634 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 54.9 mtt180 -130.26 129.53 43.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.479 -0.328 . . . . 1.99 110.662 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.9 p -72.97 172.61 10.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.222 -0.445 . . . . 0.63 110.692 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.9 m -51.82 -42.71 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.36 . . . . 1.47 111.043 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.7 m -55.17 -43.42 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.674 -0.694 . . . . 1.67 111.301 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.9 m -65.96 -42.56 89.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.57 111.104 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -36.64 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.85 110.852 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -75.49 -14.17 60.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.1 -0.5 . . . . 1.93 110.867 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -92.88 7.32 44.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 1.31 111.481 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 7.9 p -120.92 42.84 2.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.186 0.517 . . . . 2.69 111.003 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.85 -26.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.872 -0.604 . . . . 5.52 110.403 -178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' ' 346' ' ' GLN . 0.1 OUTLIER -61.95 141.79 57.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.553 -0.748 . . . . 6.73 110.83 -178.055 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -61.67 124.16 19.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.171 -0.468 . . . . 7.68 110.564 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 26.0 t -89.87 -18.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.24 1.019 . . . . 9.19 109.163 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -88.78 118.61 69.49 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-N 114.038 -1.437 . . . . 10.48 109.915 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 171.2 18.72 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.711 2.274 . . . . 12.51 111.563 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.623 HH21 ' HA ' ' A' ' 354' ' ' GLU . 11.5 mmm180 -93.23 117.97 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 14.87 110.796 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -114.36 104.15 11.78 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.26 -1.015 . . . . 15.81 108.26 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 67.34 92.1 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.975 0.797 . . . . 17.69 109.992 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLU . . . . . 0.623 ' HA ' HH21 ' A' ' 351' ' ' ARG . 42.3 mt-10 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.756 -0.657 . . . . 18.81 110.436 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.96 -0.385 . . . . 0.29 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.9 ttm-85 -82.12 72.32 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.136 0.493 . . . . 0.69 109.89 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -77.58 150.53 34.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.656 0.613 . . . . 0.95 112.656 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.625 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 51.1 mtpt -139.5 158.25 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.75 109.428 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -133.29 78.2 1.77 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.742 -0.836 . . . . 2.88 108.742 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 52.8 p -92.86 173.91 7.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.502 -0.772 . . . . 1.03 111.124 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.61 132.54 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 0.9 109.526 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.263 -0.426 . . . . 3.09 110.401 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 32.6 mmtp -100.47 15.85 26.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.115 -0.493 . . . . 3.53 110.426 -173.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.251 1.178 0 CA-C-N 115.877 -0.601 . . . . 4.45 109.727 176.207 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 111.784 -0.527 . . . . 7.93 111.784 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -115.62 97.14 5.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.891 0.377 . . . . 6.29 111.023 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -143.37 13.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 6.45 110.324 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -145.76 63.55 1.25 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.772 -0.649 . . . . 3.16 111.33 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -98.83 143.28 29.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.882 0.373 . . . . 4.62 110.5 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 294' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 315' ' ' PRO . 27.4 tptp -138.28 143.16 39.89 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.732 -0.84 . . . . 3.4 108.732 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.748 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.5 p30 -101.96 135.42 43.56 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 120.854 0.359 . . . . 1.25 110.278 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.401 ' HB3' ' OE2' ' A' ' 298' ' ' GLU . 45.4 mt-10 -72.53 139.12 47.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.848 -0.615 . . . . 1.11 109.831 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.69 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 20.4 m-20 -89.84 11.92 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.337 -0.392 . . . . 0.49 111.649 -171.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.401 ' OE2' ' HB3' ' A' ' 296' ' ' GLU . 0.0 OUTLIER -141.13 135.13 30.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.572 0.701 . . . . 2.53 110.166 176.774 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 43.2 t -59.84 137.43 58.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.759 -1.109 . . . . 0.21 111.995 -174.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -67.33 -11.61 58.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.893 -0.594 . . . . 0.31 111.233 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -82.07 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.026 -0.534 . . . . 0.31 111.282 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.93 4.28 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.043 0.386 . . . . 0.34 112.043 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.456 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 27.8 mmt180 57.98 31.04 20.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 2.38 111.886 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.506 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.6 t70 -99.72 174.03 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.303 -0.999 . . . . 1.54 108.303 175.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.468 ' C ' ' HA ' ' B' ' 8' ' ' ARG . . . -123.83 -179.74 15.86 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.394 -0.908 . . . . 0.7 111.98 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.85 -132.7 8.51 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.667 -0.778 . . . . 0.4 112.13 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.99 78.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.239 0.542 . . . . 1.91 110.251 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.677 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 20.8 mt -89.83 150.21 22.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.321 -0.854 . . . . 0.24 111.342 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.1 tt -126.52 117.25 47.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.648 -0.871 . . . . 0.21 108.648 172.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.783 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 52.3 t -104.07 146.93 28.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.274 0.559 . . . . 1.36 110.847 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.779 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.8 t -74.68 151.4 39.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.122 -0.944 . . . . 0.2 111.051 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.423 ' HA ' HH21 ' B' ' 2' ' ' ARG . 30.0 t70 -60.76 -67.0 0.44 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.974 -0.557 . . . . 0.66 111.047 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.79 -10.03 84.96 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 114.857 0.703 . . . . 0.37 114.857 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.6 p -136.58 133.68 19.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.882 0.841 . . . . 1.34 110.565 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.58 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 25.9 Cg_exo -62.49 -5.78 7.56 Favored 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 123.703 2.935 . . . . 0.52 114.208 -174.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -64.74 132.87 50.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.066 0.46 . . . . 1.3 111.565 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -112.28 153.41 27.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 0.14 108.974 173.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.618 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.5 m-85 -135.1 166.77 22.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.65 0.262 . . . . 0.21 110.532 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.5 m80 -96.08 147.9 23.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.258 -0.645 . . . . 0.18 109.258 171.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 85.5 mt -55.44 -51.99 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.218 0.324 . . . . 0.27 111.402 -173.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.26 53.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.174 0.435 . . . . 0.2 112.174 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.9 m -75.05 -25.4 58.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.21 111.335 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.0 157.71 36.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.317 0.58 . . . . 0.2 111.815 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.2 t -139.45 111.83 7.75 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 108.608 -0.886 . . . . 0.93 108.608 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.52 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.3 Cg_endo -73.87 141.55 72.09 Favored 'Cis proline' 0 C--O 1.233 0.272 0 C-N-CA 123.365 -1.514 . . . . 0.61 112.213 2.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 2.9 Cg_exo -72.01 138.09 30.4 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.891 2.394 . . . . 0.42 111.91 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -90.08 127.36 36.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.174 -0.466 . . . . 1.03 110.358 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -84.56 -23.19 29.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 3.15 110.122 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -141.25 157.25 45.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.064 -0.971 . . . . 1.57 109.665 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 28.8 mm -78.68 121.77 83.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.394 . . . . 0.28 111.378 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.9 Cg_endo -64.68 138.77 60.31 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.968 2.445 . . . . 0.29 112.618 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 46.2 m -96.32 52.07 1.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.974 -0.557 . . . . 1.66 110.647 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.22 -165.84 30.73 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.559 -0.829 . . . . 0.46 112.381 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -67.83 108.7 3.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.58 111.081 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.515 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.1 t90 -95.96 146.0 24.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.768 -0.651 . . . . 0.29 110.177 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.779 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.1 mtt180 -132.54 137.38 47.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 1.99 110.735 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.83 172.61 9.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.778 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.0 m -54.46 -45.38 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.633 0.254 . . . . 1.47 111.113 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.8 m -55.86 -43.0 76.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 1.67 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 97.6 m -65.73 -42.5 90.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.57 111.384 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.82 -33.28 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.85 110.618 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -85.99 9.16 17.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.576 . . . . 1.93 110.35 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -92.3 6.4 46.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 1.31 110.218 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 7.4 p -143.09 45.56 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.607 -0.724 . . . . 2.69 110.55 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.48 -47.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.99 -0.55 . . . . 5.52 109.814 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 60.67 80.34 0.22 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.744 -0.662 . . . . 6.73 111.267 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.328 0.585 . . . . 7.68 110.581 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 11.5 t -107.28 65.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.751 0.786 . . . . 9.19 109.515 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -130.95 106.36 15.17 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 115.206 -0.906 . . . . 10.48 110.371 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.98 117.21 3.93 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.42 2.08 . . . . 12.51 110.825 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -124.27 94.68 4.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.166 0.508 . . . . 14.87 111.602 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -120.85 167.65 12.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.779 -1.193 . . . . 15.81 107.779 165.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -100.94 24.56 9.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.326 0.584 . . . . 17.69 110.269 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.046 -0.979 . . . . 18.81 109.941 179.276 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.808 -0.441 . . . . 0.29 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.783 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 48.3 ttm-85 -83.35 64.96 8.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.388 0.613 . . . . 0.69 109.641 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.25 151.4 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.408 -0.815 . . . . 0.95 111.504 -174.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.748 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.7 mtpp -136.13 138.09 41.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.75 110.184 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.64 -57.42 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.123 -0.695 . . . . 2.88 109.123 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.415 HG22 ' H ' ' B' ' 7' ' ' ALA . 0.2 OUTLIER 52.09 -160.63 0.1 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.948 -0.569 . . . . 1.03 112.279 170.253 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.415 ' H ' HG22 ' B' ' 6' ' ' THR . . . -129.49 141.8 50.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 0.9 109.387 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.468 ' HA ' ' C ' ' A' ' 305' ' ' GLY . 99.5 mtt180 -73.58 154.84 39.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.361 0.413 . . . . 3.09 110.833 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -109.42 9.94 25.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.133 0.492 . . . . 3.53 110.096 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.526 -0.761 . . . . 4.45 109.688 175.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.832 -0.507 . . . . 7.93 111.832 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 290' ' ' ALA . . . . . 0.741 ' HB1' ' HB2' ' A' ' 293' ' ' GLN . . . -73.71 93.7 2.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.867 0.365 . . . . 6.29 110.588 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 23.0 ptp -92.56 -7.59 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.227 0.537 . . . . 6.45 110.914 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -127.46 -4.6 6.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.214 -0.903 . . . . 3.16 110.903 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 293' ' ' GLN . . . . . 0.741 ' HB2' ' HB1' ' A' ' 290' ' ' ALA . 41.4 mt-30 -116.98 151.33 36.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.752 -0.658 . . . . 4.62 109.913 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -139.91 150.4 44.52 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.459 -0.571 . . . . 3.4 109.459 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.731 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.3 OUTLIER -138.82 134.55 33.52 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.76 -0.459 . . . . 1.25 109.76 178.361 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -69.41 144.46 53.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.176 -0.466 . . . . 1.11 110.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -91.17 0.67 57.48 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.923 0.392 . . . . 0.49 110.75 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.85 139.53 41.75 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.7 -0.682 . . . . 2.53 110.094 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.637 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 35.3 t -63.14 137.8 58.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.864 -1.062 . . . . 0.21 111.168 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.35 -19.59 66.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.31 111.324 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.593 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -75.0 -63.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.474 . . . . 0.31 111.251 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 19.1 p -116.78 3.72 12.97 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.384 0.513 . . . . 0.34 112.384 -171.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 32.7 mmt180 55.96 36.62 27.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.87 -0.605 . . . . 2.38 112.005 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.459 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.5 t0 -112.77 170.9 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.69 -0.856 . . . . 1.54 108.69 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.508 ' O ' ' HD3' ' B' ' 8' ' ' ARG . . . -112.38 -166.77 17.4 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.85 -0.69 . . . . 0.7 111.698 -176.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.58 -122.13 6.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.42 -0.895 . . . . 0.4 112.719 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -74.45 86.91 2.05 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.845 0.38 . . . . 1.91 110.457 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.851 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -101.03 141.08 34.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.53 0.681 . . . . 0.24 112.584 -174.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.64 HG13 ' HB1' ' B' ' 1' ' ' ALA . 2.9 tt -127.85 112.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.779 -1.1 . . . . 0.21 108.748 171.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 2.5 m -100.78 148.2 25.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 1.36 110.886 -174.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 314' ' ' CYS . 53.4 t -72.09 148.19 46.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.221 -0.899 . . . . 0.2 110.131 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.44 ' HA ' HH21 ' B' ' 2' ' ' ARG . 18.0 t70 -62.01 -67.49 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.798 -0.361 . . . . 0.66 110.678 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -68.3 -20.05 72.96 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.101 -0.5 . . . . 0.37 113.918 -173.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 311' ' ' CYS . 73.8 m -126.79 131.6 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 117.3 0.55 . . . . 1.34 110.516 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 -8.11 19.73 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.098 2.532 . . . . 0.52 113.797 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 300' ' ' ALA . 77.1 mtt180 -61.02 130.46 46.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.25 0.548 . . . . 1.3 111.33 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.89 153.76 25.0 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.257 -0.883 . . . . 0.14 108.95 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.637 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 45.6 m-85 -137.4 171.33 14.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.8 0.333 . . . . 0.21 111.233 -176.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.8 m80 -100.33 150.62 22.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.003 -0.74 . . . . 0.18 109.003 170.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.9 mt -57.27 -55.8 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.67 0.271 . . . . 0.27 111.145 -175.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.14 -25.11 61.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.542 . . . . 0.2 112.294 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.593 ' HB3' HG11 ' A' ' 301' ' ' VAL . 93.7 m -73.6 -24.12 60.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.445 -0.343 . . . . 0.21 111.423 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.526 HD13 HD23 ' A' ' 327' ' ' LEU . 38.7 mt -67.69 158.38 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.227 0.537 . . . . 0.2 111.719 176.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 4.4 p -137.32 109.75 8.91 Favored Pre-proline 0 N--CA 1.435 -1.206 0 CA-C-N 115.506 -0.77 . . . . 0.93 110.506 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 15.4 Cg_exo -70.09 146.81 83.9 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.137 -1.193 . . . . 0.61 112.225 -2.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.527 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 7.5 Cg_exo -69.53 145.92 59.99 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.956 2.437 . . . . 0.42 112.214 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.562 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.4 mm? -92.35 136.07 33.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.007 -0.542 . . . . 1.03 109.897 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 328' ' ' ARG . 1.3 ptm180 -99.94 -18.16 17.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.348 0.594 . . . . 3.15 110.422 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.01 149.0 33.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.254 -0.884 . . . . 1.57 109.912 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.9 122.06 84.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 0.28 111.24 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.97 139.44 41.52 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.791 2.994 . . . . 0.29 112.972 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 m -90.18 29.94 1.17 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.563 -0.744 . . . . 1.66 111.23 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.2 -158.77 18.39 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.921 -0.657 . . . . 0.46 112.071 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.1 p -68.26 113.46 5.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.58 110.977 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.401 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.7 t90 -90.07 144.57 25.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.29 110.24 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.478 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 58.4 mtt85 -116.94 133.56 55.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 1.99 111.108 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.23 179.53 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.63 110.188 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 14.7 m -53.26 -45.77 68.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.953 0.353 . . . . 1.47 111.953 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 32.3 t -56.74 -47.09 80.81 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.863 0.363 . . . . 1.67 111.157 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.7 m -66.26 -41.55 89.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.441 -0.345 . . . . 0.57 110.843 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.8 -31.43 72.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.85 110.868 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -67.73 -26.14 66.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 1.93 110.587 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -83.79 42.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.482 . . . . 1.31 110.591 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.09 72.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.591 -0.731 . . . . 2.69 111.828 176.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.98 -39.32 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.304 -0.628 . . . . 5.52 109.304 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.83 139.23 46.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.236 -0.893 . . . . 6.73 109.809 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -117.07 34.07 5.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.483 0.659 . . . . 7.68 110.375 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.74 78.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-O 122.05 0.928 . . . . 9.19 110.082 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.51 110.61 25.66 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.176 -0.92 . . . . 10.48 108.906 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.57 151.53 53.82 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.1 2.533 . . . . 12.51 112.961 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.02 24.94 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.757 -0.656 . . . . 14.87 110.926 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -76.21 76.05 3.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.226 -0.657 . . . . 15.81 109.226 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.55 139.22 30.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.659 -0.7 . . . . 17.69 111.107 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.579 -0.737 . . . . 18.81 109.631 178.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.64 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.237 -0.282 . . . . 0.29 110.237 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 45.9 ttm-85 -80.81 75.04 7.75 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.392 -0.595 . . . . 0.69 109.392 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -71.9 149.68 44.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.942 0.401 . . . . 0.95 111.791 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.851 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 51.1 mtpt -137.6 156.18 48.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.91 -0.586 . . . . 0.75 110.429 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -129.09 86.04 2.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.643 -0.708 . . . . 2.88 109.168 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 52.1 p -107.0 171.5 7.34 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.13 -0.486 . . . . 1.03 110.763 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.41 134.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.157 -0.474 . . . . 0.9 110.494 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.508 ' HD3' ' O ' ' A' ' 305' ' ' GLY . 24.0 mmt180 -62.81 141.59 58.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.714 -0.676 . . . . 3.09 110.427 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -96.81 -77.68 0.48 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.561 -0.745 . . . . 3.53 110.543 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.282 -0.866 . . . . 4.45 110.896 -177.43 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.145 -0.382 . . . . 7.93 112.145 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 71.82 -63.19 0.43 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.72 0.808 . . . . 6.29 112.149 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.44 109.67 6.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.026 -0.534 . . . . 6.45 111.257 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 60.53 17.05 6.98 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.605 0.565 . . . . 3.16 111.829 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -161.1 105.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 4.62 109.795 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.64 153.19 48.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.149 -0.478 . . . . 3.4 109.934 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.715 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.2 p30 -126.47 136.4 52.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 1.25 110.114 175.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 41.3 mt-10 -71.79 136.65 47.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 1.11 109.959 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 1.9 m-20 -87.9 11.98 14.34 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.92 -0.77 . . . . 0.49 108.92 174.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -131.92 131.47 42.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.183 -0.917 . . . . 2.53 108.622 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.7 t -63.73 137.54 58.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.393 -0.367 . . . . 0.21 110.942 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.601 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -68.82 -19.34 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.31 111.01 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.647 HG11 ' HB3' ' A' ' 322' ' ' CYS . 70.1 t -76.43 -62.29 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 0.31 111.671 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -126.35 10.4 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.353 0.501 . . . . 0.34 112.353 -174.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 299' ' ' CYS . 33.9 mmt180 56.98 34.22 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 2.38 112.374 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 -175.68 3.16 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.138 -0.69 . . . . 1.54 109.138 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -132.29 -175.53 14.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.532 -0.842 . . . . 0.7 111.843 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.589 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 119.02 -127.11 7.08 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.56 -0.828 . . . . 0.4 112.435 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.67 84.49 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.148 0.499 . . . . 1.91 110.379 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.621 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 77.3 mt -95.19 144.99 25.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.571 -0.74 . . . . 0.24 112.3 -174.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.584 HG13 ' HB1' ' B' ' 1' ' ' ALA . 5.9 tt -124.23 105.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.06 -0.973 . . . . 0.21 109.171 173.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.5 m -92.72 147.85 22.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 1.36 110.726 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.786 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 34.6 t -74.56 152.51 39.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.6 -0.727 . . . . 0.2 110.783 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.592 ' HA ' HH21 ' B' ' 2' ' ' ARG . 28.1 t70 -60.79 -68.12 0.34 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.66 110.975 175.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -74.01 -10.39 80.88 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.664 0.626 . . . . 0.37 114.664 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.7 p -136.41 134.1 19.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 117.757 0.778 . . . . 1.34 110.148 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.9 -9.24 13.66 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 123.53 2.82 . . . . 0.52 114.108 -172.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.405 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 58.8 mtt180 -60.14 131.18 50.03 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.978 0.418 . . . . 1.3 111.624 -177.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.706 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.16 151.11 28.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 0.14 109.009 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 49.5 m-85 -135.59 169.52 17.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.808 0.337 . . . . 0.21 110.922 -176.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 54.0 m80 -100.38 145.83 27.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.77 -0.826 . . . . 0.18 108.77 169.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 327' ' ' LEU . 81.3 mt -55.78 -51.91 65.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 0.27 111.473 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.24 -15.17 60.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.2 111.765 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.647 ' HB3' HG11 ' A' ' 301' ' ' VAL . 74.6 m -82.84 -20.0 36.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.21 110.801 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 61.4 mt -75.71 154.66 36.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 0.2 111.386 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 23.0 t -139.99 110.08 7.14 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.782 -0.645 . . . . 0.93 109.512 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 10.6 Cg_exo -71.93 146.86 87.02 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 123.601 -1.416 . . . . 0.61 112.441 0.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.1 Cg_exo -74.98 139.01 23.84 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.81 2.34 . . . . 0.42 112.463 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.428 ' HB2' HD22 ' A' ' 320' ' ' LEU . 4.0 mm? -86.76 127.55 34.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 1.03 109.798 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -78.1 -26.63 48.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 3.15 110.585 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.05 161.48 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 1.57 110.316 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.422 HD13 HD21 ' A' ' 320' ' ' LEU . 34.2 mm -76.69 119.15 76.18 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.28 111.363 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.54 135.49 39.32 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.682 2.254 . . . . 0.29 112.102 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.7 t -94.03 57.52 2.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.487 0.66 . . . . 1.66 110.489 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -171.62 -170.47 35.68 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.934 -0.866 . . . . 0.46 110.934 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -65.42 114.37 4.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.147 0.499 . . . . 0.58 110.597 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.56 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 86.5 t90 -101.01 146.46 27.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.967 -0.56 . . . . 0.29 110.274 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.786 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 59.2 mtt180 -127.74 139.59 52.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 1.99 110.849 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -72.86 174.33 7.9 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.106 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 38.4 t -56.14 -44.95 79.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.775 0.321 . . . . 1.47 110.676 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.7 m -55.22 -45.98 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.67 111.138 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 81.4 m -66.71 -43.11 85.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.57 111.847 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.14 -32.2 73.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.442 0.639 . . . . 0.85 110.759 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -88.59 -3.93 58.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.364 -0.835 . . . . 1.93 110.531 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.12 -1.68 58.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.115 0.483 . . . . 1.31 110.508 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.2 p -131.54 90.84 2.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.668 -0.696 . . . . 2.69 109.448 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 48.6 t -94.99 -38.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 5.52 110.965 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -82.93 -80.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 6.73 111.179 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.708 ' HG2' ' H ' ' A' ' 349' ' ' GLN . 41.6 tt0 -144.99 138.96 27.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.025 -0.361 . . . . 7.68 110.025 -177.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 8.3 p -97.26 11.95 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.891 0.853 . . . . 9.19 110.912 -177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.708 ' H ' ' HG2' ' A' ' 347' ' ' GLU . 76.4 mm-40 -124.14 119.72 26.43 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.705 . . . . 10.48 110.419 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.97 119.44 6.46 Favored 'Trans proline' 0 C--N 1.335 -0.17 0 C-N-CA 123.081 2.52 . . . . 12.51 111.868 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -73.81 127.27 32.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.7 -0.482 . . . . 14.87 109.7 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.13 76.05 1.43 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 15.81 110.319 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 70.19 177.66 0.26 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 17.69 111.224 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.728 -0.653 . . . . 18.81 109.74 -176.905 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.584 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.698 -0.482 . . . . 0.29 109.698 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -77.28 84.96 3.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.019 -0.537 . . . . 0.69 110.524 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -87.14 139.26 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.732 0.641 . . . . 0.95 112.732 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.715 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 27.2 mtpp -126.52 133.05 51.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.269 -0.878 . . . . 0.75 109.327 176.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' B' ' 5' ' ' GLN . 13.8 mm-40 -107.95 78.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.459 0.647 . . . . 2.88 110.335 175.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.526 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 22.8 p -97.36 177.76 5.44 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.37 -0.832 . . . . 1.03 110.421 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.07 135.06 35.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.836 -0.431 . . . . 0.9 109.836 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.589 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 35.5 mtm180 -68.51 146.95 52.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.98 0.419 . . . . 3.09 110.645 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -90.77 -9.96 44.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.006 -0.543 . . . . 3.53 110.364 -176.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.542 -0.742 . . . . 4.45 110.398 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 112.138 -0.385 . . . . 7.93 112.138 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -108.74 87.48 2.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.784 0.292 . . . . 6.29 111.785 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.4 tpt 51.57 72.92 0.34 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.642 0.589 . . . . 6.45 112.083 173.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -117.7 12.31 13.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.284 -0.416 . . . . 3.16 110.9 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 293' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 293' ' ' GLN . 14.9 mm-40 -99.64 157.54 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 4.62 110.548 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -143.21 152.55 41.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.004 -0.544 . . . . 3.4 109.642 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.857 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.3 p30 -122.53 137.38 54.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.483 -0.326 . . . . 1.25 110.4 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.43 134.15 47.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.829 -0.434 . . . . 1.11 109.829 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.742 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 5.9 m-20 -86.85 9.9 17.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.463 -0.569 . . . . 0.49 109.463 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -127.68 135.26 49.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.409 -0.96 . . . . 2.53 108.409 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.608 ' O ' ' HD2' ' A' ' 303' ' ' ARG . 42.8 t -66.98 138.12 57.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.89 0.376 . . . . 0.21 110.839 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -68.73 -15.8 63.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.331 . . . . 0.31 111.386 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.614 HG11 ' HB3' ' A' ' 322' ' ' CYS . 74.0 t -79.02 -62.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.475 . . . . 0.31 111.414 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -119.03 5.18 11.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.982 0.42 . . . . 0.34 112.018 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.608 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 28.2 mmm180 54.92 35.93 25.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.542 -0.754 . . . . 2.38 111.38 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.468 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.4 t70 -102.43 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.631 -0.878 . . . . 1.54 108.631 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.54 -175.91 15.13 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.552 -0.833 . . . . 0.7 111.876 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 121.84 -128.6 7.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.731 -0.747 . . . . 0.4 112.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.87 92.1 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.098 0.475 . . . . 1.91 110.266 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.868 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.3 mt -104.0 146.7 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.24 111.806 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 4.4 tt -125.78 114.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.275 -0.875 . . . . 0.21 109.187 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 40.8 t -100.46 142.57 31.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.395 0.617 . . . . 1.36 111.682 -172.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.2 t -74.44 141.29 45.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.93 -1.032 . . . . 0.2 110.085 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.11 -64.56 0.91 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.992 0.425 . . . . 0.66 110.911 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -63.39 -21.3 64.3 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.974 -0.557 . . . . 0.37 114.307 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 81.8 m -135.87 131.98 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 117.632 0.716 . . . . 1.34 110.899 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 27.2 Cg_exo -60.52 -14.69 31.99 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.628 2.885 . . . . 0.52 114.2 -172.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -58.14 132.95 55.06 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.001 0.429 . . . . 1.3 111.43 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -113.06 152.33 29.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 0.14 109.15 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 38.9 m-85 -132.54 162.22 31.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.615 0.245 . . . . 0.21 110.753 -175.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.578 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.6 m80 -93.49 146.13 24.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 0.18 109.077 170.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 92.1 mt -56.67 -54.38 46.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.747 0.308 . . . . 0.27 111.211 -173.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.11 -17.31 60.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.529 . . . . 0.2 112.122 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.614 ' HB3' HG11 ' A' ' 301' ' ' VAL . 80.4 m -79.53 -21.15 45.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.886 0.374 . . . . 0.21 111.026 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.84 154.71 38.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 0.2 111.715 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.9 t -139.88 107.45 6.94 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.171 -0.922 . . . . 0.93 108.762 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 87.4 Cg_endo -76.61 143.58 76.46 Favored 'Cis proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.508 -1.455 . . . . 0.61 112.735 5.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.4 Cg_exo -75.18 144.04 29.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.841 2.361 . . . . 0.42 112.178 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.571 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -95.82 132.66 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 1.03 109.958 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.164 0.507 . . . . 3.15 109.933 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.58 160.23 39.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.576 -0.738 . . . . 1.57 109.893 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 330' ' ' ILE . 29.5 mm -80.49 121.87 81.88 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.992 -0.549 . . . . 0.28 111.768 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 9.6 Cg_endo -57.79 139.38 90.13 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.463 2.775 . . . . 0.29 112.767 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 p -89.43 38.43 0.9 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.511 -0.768 . . . . 1.66 111.395 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -166.4 -170.92 31.93 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.489 -0.644 . . . . 0.46 111.489 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 36.9 p -66.15 112.0 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.819 0.343 . . . . 0.58 110.368 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.456 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 82.9 t90 -84.92 145.74 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.29 110.102 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.528 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 93.8 mtt180 -119.7 132.3 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 1.99 110.647 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.15 177.27 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.029 -0.532 . . . . 0.63 110.304 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.9 m -53.2 -43.94 67.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.682 -0.235 . . . . 1.47 111.279 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 42.4 t -55.97 -51.44 67.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 1.67 111.011 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.4 m -60.85 -42.44 97.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.57 111.098 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.85 110.611 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -72.51 -27.22 62.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.888 -0.597 . . . . 1.93 111.837 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.81 2.1 55.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.82 0.343 . . . . 1.31 111.545 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.3 p -121.98 43.56 2.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.353 0.596 . . . . 2.69 110.779 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 346' ' ' GLN . 57.5 t -91.12 -68.28 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.747 -0.66 . . . . 5.52 110.347 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 345' ' ' VAL . 14.5 mm100 69.23 130.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.771 0.669 . . . . 6.73 111.711 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.39 141.01 50.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 7.68 111.376 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 349' ' ' GLN . 11.7 p -121.9 36.77 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 9.19 109.347 176.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 348' ' ' VAL . 29.1 mm-40 71.13 153.46 0.15 Allowed Pre-proline 0 N--CA 1.467 0.407 0 CA-C-N 114.679 -1.146 . . . . 10.48 111.378 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.3 70.01 1.9 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.104 2.536 . . . . 12.51 113.229 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 351' ' ' ARG . 38.5 mmt180 -135.54 -78.68 0.43 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.356 -0.609 . . . . 14.87 109.356 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' A' ' 354' ' ' GLU . . . 49.47 80.67 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.008 0.818 . . . . 15.81 112.736 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.02 26.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 17.69 111.211 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 352' ' ' ALA . 42.3 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.905 -1.045 . . . . 18.81 110.723 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.226 -0.287 . . . . 0.29 110.226 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 2' ' ' ARG . 16.1 ttp180 -82.12 80.47 8.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.462 0.649 . . . . 0.69 110.098 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.24 151.24 39.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.68 -0.691 . . . . 0.95 112.036 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp -134.69 131.66 37.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.75 110.224 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -106.11 84.5 2.05 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.198 -0.667 . . . . 2.88 109.198 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.4 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 23.6 p -107.64 178.65 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.722 -0.672 . . . . 1.03 111.02 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.84 132.86 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.9 110.106 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -66.02 155.33 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 3.09 111.196 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -103.38 8.59 38.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.299 0.571 . . . . 3.53 109.824 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.013 -0.994 . . . . 4.45 110.807 179.313 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.117 -0.393 . . . . 7.93 112.117 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 63.81 29.95 14.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.198 0.523 . . . . 6.29 111.238 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 12.6 tpt -139.51 148.15 42.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 6.45 109.871 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 59.83 39.77 20.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.417 0.627 . . . . 3.16 110.343 -177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -75.09 162.81 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.261 -0.881 . . . . 4.62 110.356 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -123.17 153.14 40.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.165 -1.05 . . . . 3.4 108.165 177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.754 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.3 OUTLIER -122.39 137.15 54.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.897 0.379 . . . . 1.25 111.229 -178.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.7 139.72 53.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 1.11 110.157 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -89.73 13.01 15.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.07 -0.715 . . . . 0.49 109.07 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.489 ' OE2' ' HE3' ' B' ' 9' ' ' LYS . 0.6 OUTLIER -128.81 138.46 52.08 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.53 108.491 -178.696 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 42.9 t -71.64 138.2 48.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.002 0.43 . . . . 0.21 111.188 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -69.64 -13.08 62.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.31 111.38 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 322' ' ' CYS . 78.1 t -83.54 -59.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.957 -0.565 . . . . 0.31 111.448 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.91 8.5 8.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.386 0.513 . . . . 0.34 112.386 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 26.0 mmm180 57.0 30.64 18.5 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.026 -0.534 . . . . 2.38 111.668 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.9 t70 -101.65 174.39 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.212 -0.662 . . . . 1.54 109.212 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.65 -174.36 14.72 Favored Glycine 0 C--N 1.318 -0.419 0 C-N-CA 120.897 -0.668 . . . . 0.7 111.906 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 116.48 -119.78 4.63 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.314 -0.946 . . . . 0.4 112.364 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.95 87.22 6.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 1.91 110.376 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 83.8 mt -102.3 149.79 23.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.678 -0.692 . . . . 0.24 111.803 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.0 tt -132.48 118.15 34.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.257 -0.883 . . . . 0.21 109.266 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.86 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 48.9 t -103.09 147.48 26.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.465 0.65 . . . . 1.36 111.251 -174.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 50.5 t -74.79 153.14 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.97 -1.013 . . . . 0.2 111.326 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.52 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 21.5 t0 -60.46 -67.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.998 0.428 . . . . 0.66 110.862 174.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -80.87 -1.28 89.53 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.162 -0.542 . . . . 0.37 114.258 -173.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 76.6 m -135.54 132.84 19.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.739 0.769 . . . . 1.34 111.263 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 16.0 Cg_exo -66.54 -12.53 36.19 Favored 'Trans proline' 0 N--CA 1.472 0.248 0 C-N-CA 123.856 3.037 . . . . 0.52 113.583 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.32 133.63 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 1.3 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -113.57 153.27 29.08 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.686 -0.857 . . . . 0.14 108.686 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.464 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 39.3 m-85 -134.15 168.0 19.65 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.632 0.254 . . . . 0.21 110.42 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.524 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 52.0 m80 -95.75 145.71 25.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 0.18 108.752 169.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.517 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.5 mt -57.01 -51.56 68.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.66 0.267 . . . . 0.27 111.066 -172.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.33 62.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.2 112.132 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.623 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.0 m -72.17 -20.69 61.56 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.779 0.323 . . . . 0.21 110.926 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.49 155.7 40.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.262 0.553 . . . . 0.2 111.207 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.446 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 24.7 t -141.38 113.76 6.74 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.21 -0.905 . . . . 0.93 108.967 172.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.51 133.34 29.36 Favored 'Cis proline' 0 C--O 1.233 0.255 0 C-N-CA 123.644 -1.399 . . . . 0.61 112.598 0.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 324' ' ' SER . 17.8 Cg_endo -64.23 142.39 79.66 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.068 2.512 . . . . 0.42 112.901 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -92.92 134.99 34.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.397 -0.82 . . . . 1.03 109.688 177.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -89.61 -25.72 21.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.163 0.506 . . . . 3.15 110.094 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -144.59 158.15 43.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.59 -0.732 . . . . 1.57 110.343 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 41.2 mm -75.4 122.46 87.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.28 111.439 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -56.84 138.1 84.27 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.255 2.637 . . . . 0.29 112.62 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 p -91.96 40.73 1.05 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.689 0.756 . . . . 1.66 110.407 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -172.23 -172.7 38.31 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.254 -0.885 . . . . 0.46 111.02 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 p -64.53 114.67 4.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.303 0.573 . . . . 0.58 111.375 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.443 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.6 t90 -89.4 143.85 26.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.29 109.795 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.553 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.8 mtt180 -122.33 136.9 54.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 1.99 110.858 -178.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.02 174.46 11.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.462 -0.57 . . . . 0.63 109.462 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 49.2 m -53.75 -43.8 69.46 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.137 0.421 . . . . 1.47 112.137 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 35.8 t -60.17 -44.04 95.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.281 . . . . 1.67 111.14 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 86.0 m -60.71 -40.95 94.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.57 111.103 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.38 -39.93 92.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.85 110.376 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -73.06 -19.41 61.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.871 -0.604 . . . . 1.93 111.143 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -90.73 -6.42 54.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.078 0.466 . . . . 1.31 110.305 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.498 HG22 HG22 ' A' ' 348' ' ' VAL . 17.1 p -129.05 46.14 2.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.722 -0.672 . . . . 2.69 111.071 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.0 -59.27 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.007 -0.542 . . . . 5.52 110.402 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.26 61.41 5.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.948 0.404 . . . . 6.73 111.181 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 45.44 38.48 3.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.711 1.004 . . . . 7.68 113.711 174.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 344' ' ' THR . 61.7 t 54.97 75.78 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 O-C-N 123.596 0.56 . . . . 9.19 111.6 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.8 91.42 0.08 OUTLIER Pre-proline 0 N--CA 1.465 0.321 0 CA-C-N 115.569 -0.741 . . . . 10.48 111.43 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 160.8 34.87 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.493 2.129 . . . . 12.51 111.892 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -77.91 83.42 4.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.405 0.621 . . . . 14.87 110.088 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -103.31 58.53 0.75 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 15.81 109.271 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.93 -66.41 0.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.073 -0.967 . . . . 17.69 110.264 -172.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.764 -0.636 . . . . 18.81 110.123 176.654 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.663 -0.495 . . . . 0.29 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.86 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 35.8 ttm-85 -83.34 70.19 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.381 0.61 . . . . 0.69 109.864 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.67 142.55 49.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.579 -0.737 . . . . 0.95 111.427 -175.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.672 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.7 mtpp -132.75 131.5 41.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.75 110.235 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -109.35 81.64 1.47 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.268 -0.641 . . . . 2.88 109.268 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -99.0 -173.37 2.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.761 -0.654 . . . . 1.03 110.923 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.97 134.54 33.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 0.9 109.696 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 -61.62 147.57 45.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 3.09 110.738 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 2.4 mmmp? -105.1 168.33 9.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.783 -0.644 . . . . 3.53 110.42 -173.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.5 -0.762 . . . . 4.45 109.89 176.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.682 -0.567 . . . . 7.93 111.682 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -81.08 174.11 11.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.783 0.325 . . . . 6.29 110.379 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.5 tpt -149.19 69.4 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.871 -0.789 . . . . 6.45 108.871 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -91.49 78.87 5.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 3.16 110.753 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -132.6 68.32 1.5 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.611 0.72 . . . . 4.62 109.437 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -129.33 104.67 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 3.4 110.325 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.812 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -139.88 135.37 32.83 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.972 0.415 . . . . 1.25 110.598 175.697 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.505 ' HG3' ' HB2' ' A' ' 315' ' ' PRO . 43.9 mt-10 -83.44 151.05 25.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.486 -0.779 . . . . 1.11 109.658 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.538 ' HB3' HG21 ' B' ' 6' ' ' THR . 10.5 m-20 -101.79 19.59 17.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.929 0.395 . . . . 0.49 111.281 -171.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.37 135.94 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.533 0.682 . . . . 2.53 110.169 173.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 41.2 t -64.45 137.54 57.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.867 -1.061 . . . . 0.21 111.625 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.6 -0.727 . . . . 0.31 111.254 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 322' ' ' CYS . 73.5 t -78.43 -67.33 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.946 -0.57 . . . . 0.31 111.856 -178.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.12 0.25 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.34 112.323 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 31.2 mmt180 61.46 28.64 17.94 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.292 0.568 . . . . 2.38 111.682 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.778 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.8 t0 -100.32 179.12 4.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.448 -0.945 . . . . 1.54 108.448 174.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -133.84 -168.42 11.82 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.751 -0.738 . . . . 0.7 112.026 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.554 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 111.98 -119.84 5.17 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.629 -0.796 . . . . 0.4 112.072 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.46 82.08 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.241 0.543 . . . . 1.91 110.431 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 58.8 mt -95.34 150.51 20.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.532 -0.758 . . . . 0.24 111.888 -176.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.45 114.49 31.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.359 -0.837 . . . . 0.21 109.066 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.727 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.9 m -102.4 148.32 25.63 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 1.36 110.926 -172.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 33.7 t -74.17 152.54 39.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.2 111.102 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.551 ' HA ' HH21 ' B' ' 2' ' ' ARG . 36.1 t70 -60.34 -67.03 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.166 -0.47 . . . . 0.66 110.856 175.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -73.11 -14.39 78.97 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.815 -0.629 . . . . 0.37 114.606 -172.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 28.0 p -136.8 132.25 18.38 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 117.855 0.828 . . . . 1.34 110.312 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.505 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 29.4 Cg_endo -64.05 -4.37 7.48 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.223 2.615 . . . . 0.52 114.264 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -57.4 123.85 16.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.969 0.414 . . . . 1.3 110.959 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -106.69 151.46 25.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.605 -0.725 . . . . 0.14 109.563 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.587 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 51.9 m-85 -134.27 169.94 16.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.849 0.357 . . . . 0.21 110.578 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.604 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.1 m80 -98.77 146.21 26.14 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.223 -0.658 . . . . 0.18 109.223 170.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.67 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 96.3 mt -54.4 -52.11 62.72 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 123.37 0.419 . . . . 0.27 111.691 -173.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -75.75 -19.76 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 0.2 111.85 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.2 m -77.17 -22.19 52.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.483 -0.326 . . . . 0.21 110.98 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.04 158.33 36.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.004 0.431 . . . . 0.2 111.373 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.3 t -140.5 114.73 7.43 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.854 -0.612 . . . . 0.93 109.512 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.518 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.8 Cg_exo -71.39 139.93 61.82 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.699 -1.376 . . . . 0.61 111.836 -1.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.518 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.2 Cg_exo -67.91 142.35 56.81 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.969 2.446 . . . . 0.42 112.504 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -92.35 128.32 38.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.846 -0.616 . . . . 1.03 110.406 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -83.12 -22.41 33.36 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.213 0.53 . . . . 3.15 110.131 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.49 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.331 -0.85 . . . . 1.57 110.016 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' B' ' 1' ' ' ALA . 31.3 mm -72.89 126.79 90.36 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.28 112.126 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.604 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.4 Cg_endo -64.88 137.2 52.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.909 2.406 . . . . 0.29 112.115 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.2 t -93.2 52.44 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.607 -0.724 . . . . 1.66 110.5 -171.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.68 -170.58 39.39 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.851 -0.9 . . . . 0.46 110.851 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.6 p -65.74 120.46 13.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.296 0.569 . . . . 0.58 110.51 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -100.45 145.69 27.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.835 -0.621 . . . . 0.29 110.0 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.668 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.6 mtt180 -124.91 137.26 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 1.99 110.666 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 21.7 p -77.75 177.85 7.83 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.234 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.2 m -56.65 -46.53 81.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.668 -0.242 . . . . 1.47 111.157 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 48.9 m -57.24 -42.8 82.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.579 -0.282 . . . . 1.67 111.278 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 84.8 m -61.36 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.57 111.05 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.53 -38.81 71.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.245 0.545 . . . . 0.85 110.29 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -60.11 -26.92 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.23 -0.896 . . . . 1.93 111.087 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -78.59 4.76 12.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 1.31 111.306 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.9 p -132.48 30.88 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.884 0.85 . . . . 2.69 109.832 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.28 -41.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.507 -1.224 . . . . 5.52 110.513 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.2 154.33 27.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.676 -0.693 . . . . 6.73 111.218 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.61 83.92 1.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.464 0.65 . . . . 7.68 109.757 177.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 10.8 p -163.02 30.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.722 1.248 . . . . 9.19 107.851 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.56 135.67 32.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.002 -1.454 . . . . 10.48 110.543 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -57.7 118.33 5.18 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.634 2.223 . . . . 12.51 110.478 171.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -54.84 -32.79 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 14.87 111.355 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . 44.95 57.75 4.45 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 124.029 0.83 . . . . 15.81 111.856 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -65.0 157.58 27.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.777 -0.647 . . . . 17.69 111.262 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 354' ' ' GLU . 11.0 pt-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.6 -0.727 . . . . 18.81 110.318 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.604 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.619 0.247 . . . . 0.29 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 35.0 ttm-85 -77.25 85.74 3.69 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.69 110.107 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.53 139.7 30.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.785 0.326 . . . . 0.95 110.96 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.8 mtpp -125.99 136.38 52.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.75 110.354 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -104.95 74.1 1.1 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.21 -1.033 . . . . 2.88 108.21 169.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.554 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 0.9 OUTLIER -95.14 174.2 7.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.373 -0.83 . . . . 1.03 111.264 -170.528 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.435 ' H ' HG22 ' B' ' 6' ' ' THR . . . -70.76 135.24 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.9 110.261 174.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 -74.03 152.95 39.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.366 -0.379 . . . . 3.09 110.499 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.778 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 31.3 mmtp -113.57 22.38 14.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.14 -0.689 . . . . 3.53 109.14 -176.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.952 0 CA-C-N 114.938 -1.028 . . . . 4.45 110.557 -179.182 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.601 -0.6 . . . . 7.93 111.601 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -102.28 11.27 38.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 6.29 110.735 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.74 58.31 3.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 6.45 110.392 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.0 4.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.763 -1.108 . . . . 3.16 108.964 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -80.63 167.3 20.21 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.222 -0.658 . . . . 4.62 109.222 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -125.46 141.22 52.17 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.406 -0.961 . . . . 3.4 108.406 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.729 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 6.5 p30 -117.71 135.99 53.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.3 0.572 . . . . 1.25 110.412 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.11 143.1 32.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.508 -0.769 . . . . 1.11 109.965 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.512 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.5 m-20 -87.21 11.83 13.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.898 0.333 . . . . 0.49 111.898 -173.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.82 145.81 35.14 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.447 0.642 . . . . 2.53 110.576 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.5 t -75.52 137.43 40.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.566 -1.197 . . . . 0.21 111.745 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.02 -14.77 62.25 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.637 -0.71 . . . . 0.31 111.481 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.639 HG11 ' HB3' ' A' ' 322' ' ' CYS . 74.3 t -82.55 -64.56 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.31 111.749 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 302' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' ' 304' ' ' ASP . 4.3 p -114.37 5.65 15.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.524 0.565 . . . . 0.34 112.524 -173.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 62.15 20.95 12.08 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.509 0.671 . . . . 2.38 110.79 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.637 ' HB2' ' SG ' ' A' ' 302' ' ' CYS . 0.2 OUTLIER -92.02 164.21 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.368 -0.833 . . . . 1.54 110.661 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.699 ' H ' ' H ' ' B' ' 9' ' ' LYS . . . -114.51 -175.37 18.72 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 110.768 -0.933 . . . . 0.7 110.768 175.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 123.65 -136.03 10.13 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.335 -0.936 . . . . 0.4 111.911 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.46 91.56 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 1.91 110.148 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.855 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 77.0 mt -100.07 149.31 23.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.829 -0.623 . . . . 0.24 111.954 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.611 HG13 ' HB1' ' B' ' 1' ' ' ALA . 6.2 tt -128.89 108.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.169 -0.923 . . . . 0.21 109.371 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.823 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.1 t -95.84 147.55 23.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.361 0.601 . . . . 1.36 111.255 -176.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.9 t -74.99 155.64 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.029 -0.987 . . . . 0.2 111.47 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 17.9 t70 -59.92 -68.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.207 -0.451 . . . . 0.66 111.163 174.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.48 -4.04 86.11 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.845 -0.693 . . . . 0.37 113.671 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 72.0 m -129.23 132.63 24.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.276 0.538 . . . . 1.34 110.999 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 14.1 Cg_exo -67.0 -15.84 47.94 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.497 2.798 . . . . 0.52 113.785 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 88.6 mtt180 -59.44 129.86 44.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.062 0.458 . . . . 1.3 111.771 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -107.28 148.7 28.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.402 -0.817 . . . . 0.14 108.826 171.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.482 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 38.0 m-85 -131.96 171.4 13.62 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.724 0.297 . . . . 0.21 110.322 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.3 m80 -100.47 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.208 -0.664 . . . . 0.18 109.208 170.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.676 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 73.7 mt -54.08 -55.27 29.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.905 0.383 . . . . 0.27 111.623 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.9 -20.77 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.637 -0.711 . . . . 0.2 112.135 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.639 ' HB3' HG11 ' A' ' 301' ' ' VAL . 74.5 m -78.74 -25.5 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.21 111.563 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.471 HD13 HD23 ' A' ' 327' ' ' LEU . 38.1 mt -65.5 160.29 22.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.2 111.603 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 23.2 t -139.05 110.95 7.87 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.099 -0.5 . . . . 0.93 109.864 174.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.9 Cg_exo -71.85 144.79 81.15 Favored 'Cis proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.695 -1.377 . . . . 0.61 112.249 -1.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 10.1 Cg_exo -67.96 138.1 43.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.967 2.445 . . . . 0.42 112.241 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.6 mm? -85.65 127.88 34.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 1.03 109.791 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -84.82 -18.57 34.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.404 0.621 . . . . 3.15 110.436 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.66 158.52 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.083 -0.962 . . . . 1.57 110.435 -172.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.484 HD13 HD21 ' A' ' 320' ' ' LEU . 31.1 mm -81.78 114.02 47.09 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 0.28 110.059 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.61 133.08 37.95 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.848 2.365 . . . . 0.29 112.369 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 15.4 t -90.48 59.99 4.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.622 0.725 . . . . 1.66 109.865 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 179.08 -168.37 39.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.313 -0.858 . . . . 0.46 111.26 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.64 115.01 6.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.047 0.451 . . . . 0.58 110.871 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.549 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.2 t90 -96.56 147.08 24.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.29 110.048 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.564 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 97.2 mtt180 -124.94 134.21 52.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 1.99 111.098 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.7 p -78.68 175.08 10.75 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.198 -0.455 . . . . 0.63 109.966 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 19.6 m -52.07 -42.3 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.917 0.34 . . . . 1.47 111.917 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.8 m -55.71 -49.22 73.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.825 0.345 . . . . 1.67 111.572 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 82.1 m -65.98 -43.37 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.643 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.14 -33.33 74.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.85 111.131 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -72.54 -28.61 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.906 -0.588 . . . . 1.93 111.406 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -88.6 11.85 16.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.14 0.422 . . . . 1.31 112.14 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.4 p -79.75 41.86 0.51 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.357 0.599 . . . . 2.69 111.708 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 346' ' ' GLN . 12.5 t -103.84 -6.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 5.52 110.16 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 345' ' ' VAL . 76.6 mt-30 71.45 145.79 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.319 -0.855 . . . . 6.73 110.885 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -88.1 86.05 7.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.164 -0.471 . . . . 7.68 110.376 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 10.4 p 39.52 67.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.229 1.014 . . . . 9.19 111.701 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -128.85 86.87 56.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.276 -0.874 . . . . 10.48 110.515 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -72.72 104.55 1.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.372 2.048 . . . . 12.51 111.381 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -124.24 122.84 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.103 -0.499 . . . . 14.87 111.232 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.48 66.95 7.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.768 -0.651 . . . . 15.81 110.106 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -80.98 150.46 28.9 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.21 -1.033 . . . . 17.69 108.21 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.361 -0.828 . . . . 18.81 109.319 -167.922 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.879 -0.415 . . . . 0.29 109.879 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.823 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 33.7 ttm-85 -82.84 76.04 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.234 0.54 . . . . 0.69 109.918 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p -76.79 148.36 36.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.686 0.624 . . . . 0.95 112.686 -172.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.855 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 29.3 mtpp -133.87 153.73 51.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.177 -0.92 . . . . 0.75 109.245 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -131.68 71.86 1.48 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.489 . . . . 2.88 110.142 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 41.9 p -92.71 -176.62 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.684 -0.689 . . . . 1.03 110.933 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.81 137.59 38.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.168 -0.469 . . . . 0.9 109.774 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 305' ' ' GLY . 87.2 mtt180 -67.41 102.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 3.09 111.75 -177.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.699 ' H ' ' H ' ' A' ' 305' ' ' GLY . 4.2 ttmp? 77.82 113.16 0.07 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.316 -1.311 . . . . 3.53 111.509 173.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.505 -0.76 . . . . 4.45 109.748 175.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 289' ' ' GLY . . . . . 0.752 ' HA3' ' OD1' ' A' ' 312' ' ' ASP . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.15 -0.38 . . . . 7.93 112.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -61.03 117.74 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.102 0.408 . . . . 6.29 112.102 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 66.7 mtt 66.83 18.44 10.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.702 -0.681 . . . . 6.45 112.132 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 50.63 48.98 21.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.242 0.544 . . . . 3.16 110.358 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -69.1 134.97 50.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 4.62 110.662 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.42 149.34 46.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.376 -0.829 . . . . 3.4 110.838 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.778 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.3 p30 -102.08 136.51 41.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 1.25 110.341 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.414 ' O ' ' HE2' ' B' ' 4' ' ' LYS . 39.1 mt-10 -77.79 145.84 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.571 -0.529 . . . . 1.11 109.571 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.613 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 40.6 m-20 -91.16 35.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.054 -0.258 . . . . 0.49 110.66 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 0.2 OUTLIER -141.88 153.98 44.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.412 0.625 . . . . 2.53 111.161 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 39.8 t -88.83 136.43 33.01 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.823 -1.08 . . . . 0.21 109.443 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.617 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.23 -14.25 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.022 0.439 . . . . 0.31 111.476 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.504 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -79.28 -56.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 0.31 111.213 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -123.01 6.19 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.191 0.811 . . . . 0.34 113.191 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 58.89 33.04 22.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.098 0.475 . . . . 2.38 111.543 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.721 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 3.9 t70 -114.37 177.69 4.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.586 -0.524 . . . . 1.54 109.586 -178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -126.82 -167.74 12.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.082 -0.58 . . . . 0.7 111.958 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 115.3 -119.74 4.72 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.034 -1.079 . . . . 0.4 111.984 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -80.97 85.61 6.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.314 0.578 . . . . 1.91 110.176 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.919 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 92.9 mt -102.55 142.67 33.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.318 -0.855 . . . . 0.24 111.907 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 7.4 tt -123.42 116.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.312 -0.858 . . . . 0.21 109.011 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 52.7 t -105.17 144.07 32.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 1.36 111.37 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 40.6 t -74.84 142.27 44.17 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.2 109.336 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.752 ' OD1' ' HA3' ' A' ' 289' ' ' GLY . 12.1 t70 -61.16 -64.79 0.83 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.414 -0.515 . . . . 0.66 111.478 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.85 -3.16 59.0 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.111 -0.566 . . . . 0.37 114.399 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 95.0 m -136.59 127.19 16.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 117.685 0.742 . . . . 1.34 110.743 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.412 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 47.3 Cg_endo -66.48 -10.39 27.61 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.211 2.607 . . . . 0.52 113.735 -171.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.617 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 25.6 mtt180 -63.33 136.45 57.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 1.3 111.524 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.639 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.29 162.6 16.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.583 -0.735 . . . . 0.14 109.138 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 56.0 m-85 -142.55 165.89 26.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.21 110.534 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.496 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.8 m80 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.29 -0.633 . . . . 0.18 109.29 171.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 65.5 mt -56.57 -52.06 66.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.03 0.206 . . . . 0.27 111.288 -173.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.87 57.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.245 0.461 . . . . 0.2 112.245 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.5 m -79.15 -18.8 52.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.059 0.457 . . . . 0.21 110.66 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.76 152.2 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.081 0.467 . . . . 0.2 110.844 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -140.44 113.01 7.25 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.658 -0.701 . . . . 0.93 109.267 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.06 137.75 48.57 Favored 'Cis proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.284 -1.548 . . . . 0.61 112.576 0.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.85 147.84 75.63 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.88 2.386 . . . . 0.42 112.079 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -95.62 123.78 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.183 0.516 . . . . 1.03 110.732 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 328' ' ' ARG . 11.5 ptp180 -78.95 -27.07 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 3.15 110.77 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -142.28 154.17 44.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.632 -0.713 . . . . 1.57 109.655 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.41 ' CD1' HD21 ' A' ' 320' ' ' LEU . 25.4 mm -79.2 119.31 76.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.113 0.483 . . . . 0.28 111.699 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 11.3 Cg_endo -63.13 139.11 70.95 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.951 2.434 . . . . 0.29 112.169 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 t -98.13 48.4 1.0 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.401 0.619 . . . . 1.66 110.189 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.37 -169.74 27.26 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.435 -0.802 . . . . 0.46 111.124 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.1 p -66.88 108.5 2.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.247 0.546 . . . . 0.58 110.754 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.489 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.9 t90 -88.81 142.53 27.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.29 109.755 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.506 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 79.1 mtt180 -114.92 133.26 56.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.037 -0.529 . . . . 1.99 110.635 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 28.5 p -78.19 176.42 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.974 -0.38 . . . . 0.63 109.974 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.8 m -51.57 -45.86 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.18 0.3 . . . . 1.47 111.76 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.3 m -56.43 -46.72 80.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.241 -0.436 . . . . 1.67 111.176 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.8 m -66.88 -42.72 85.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.57 111.441 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.26 -33.08 73.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.85 111.046 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -75.77 -8.25 56.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 1.93 111.144 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -98.94 13.13 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.314 . . . . 1.31 111.077 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 p -130.99 84.99 2.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 2.69 109.939 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 23.5 t -89.83 -24.14 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 5.52 111.031 -173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -83.14 61.65 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.494 0.664 . . . . 6.73 110.328 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -120.99 149.83 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.078 -0.965 . . . . 7.68 109.061 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 349' ' ' GLN . 8.1 p -144.74 22.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.357 0.599 . . . . 9.19 110.387 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.53 ' HG2' ' HG2' ' A' ' 351' ' ' ARG . 57.7 tt0 70.51 107.87 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.459 0 CA-C-N 115.362 -0.836 . . . . 10.48 110.294 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.49 53.39 4.29 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.864 2.376 . . . . 12.51 113.729 -174.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.53 ' HG2' ' HG2' ' A' ' 349' ' ' GLN . 2.6 mmp_? -83.66 4.68 27.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 14.87 111.12 174.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.86 82.92 1.67 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.281 -0.637 . . . . 15.81 109.281 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -83.76 105.13 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.024 -0.535 . . . . 17.69 110.353 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.623 -0.703 . . . . 18.81 110.212 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.95 -0.389 . . . . 0.29 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.412 ' HG2' HD22 ' A' ' 295' ' ' ASN . 23.7 ttp180 -80.25 83.46 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.521 . . . . 0.69 109.885 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -83.21 147.26 28.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.425 0.631 . . . . 0.95 112.548 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.919 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.8 mtpp -130.71 141.18 50.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.252 -0.885 . . . . 0.75 110.027 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -120.05 62.75 0.83 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.304 0.573 . . . . 2.88 109.686 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.466 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 11.7 p -85.04 177.62 7.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.608 -0.724 . . . . 1.03 110.975 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 143.87 26.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.531 -0.914 . . . . 0.9 108.531 172.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -63.06 151.39 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.41 . . . . 3.09 110.651 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.721 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 29.3 mmtp -99.49 21.64 11.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.789 -0.641 . . . . 3.53 110.48 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.589 -0.732 . . . . 4.45 109.853 176.584 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.994 -0.442 . . . . 7.93 111.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -136.62 61.94 1.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.059 0.457 . . . . 6.29 110.587 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 21.6 mmt -64.5 144.88 56.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 6.45 109.863 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -132.03 91.75 3.01 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.17 -0.468 . . . . 3.16 110.217 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.188 -0.671 . . . . 4.62 109.188 177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 294' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 315' ' ' PRO . 31.1 mmtp -119.22 117.67 29.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.106 -0.702 . . . . 3.4 109.106 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.745 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -143.36 134.71 26.04 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 120.953 0.406 . . . . 1.25 110.47 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.45 140.89 57.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.599 -0.728 . . . . 1.11 110.401 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.93 7.74 35.85 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.233 -0.654 . . . . 0.49 109.233 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 3.1 mp0 -131.65 142.67 49.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.533 -0.914 . . . . 2.53 108.533 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 38.0 t -69.14 138.19 53.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.403 -0.817 . . . . 0.21 110.314 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.419 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -59.85 -24.09 63.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.148 0.499 . . . . 0.31 111.013 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.563 HG11 ' HB3' ' A' ' 322' ' ' CYS . 72.9 t -75.35 -65.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.498 -0.774 . . . . 0.31 111.592 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.7 p -114.54 3.72 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.942 0.719 . . . . 0.34 112.942 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.427 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 29.4 mmm180 56.95 32.88 22.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.826 0.45 . . . . 2.38 111.281 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.607 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 1.2 t70 -104.03 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.636 -0.505 . . . . 1.54 109.636 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.89 13.59 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.462 -0.875 . . . . 0.7 112.335 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 115.8 -125.71 6.79 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.743 -0.741 . . . . 0.4 112.167 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.98 84.89 6.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.402 0.62 . . . . 1.91 110.567 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -95.9 146.51 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.175 -0.921 . . . . 0.24 111.935 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.408 HG13 ' HB1' ' B' ' 1' ' ' ALA . 8.1 tt -124.64 112.16 31.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.105 -0.952 . . . . 0.21 109.165 171.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.7 m -101.89 148.79 24.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.926 -0.579 . . . . 1.36 110.399 -173.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.7 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 41.8 t -74.32 150.85 39.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.849 -0.614 . . . . 0.2 110.98 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.9 t70 -61.21 -67.1 0.44 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.263 -0.426 . . . . 0.66 110.885 175.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.4 -14.04 74.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 114.934 0.734 . . . . 0.37 114.934 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 16.3 p -136.44 134.04 19.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 118.027 0.914 . . . . 1.34 110.507 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 294' ' ' LYS . 31.4 Cg_endo -62.31 -6.93 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.777 2.984 . . . . 0.52 114.814 -173.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -62.42 131.89 50.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.371 . . . . 1.3 111.843 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.3 155.25 23.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 0.14 109.347 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.601 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 50.5 m-85 -138.76 167.24 22.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.918 0.39 . . . . 0.21 110.961 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.602 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.9 m80 -98.41 145.71 26.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.605 -0.887 . . . . 0.18 108.605 168.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 83.1 mt -53.65 -52.13 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.943 0.349 . . . . 0.27 111.943 -173.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.08 -23.24 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 0.2 112.081 -176.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 76.4 m -75.83 -23.5 55.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.21 110.861 -176.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.0 157.1 34.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.153 -0.476 . . . . 0.2 111.45 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 30.8 t -139.47 113.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.009 -0.542 . . . . 0.93 109.636 173.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.5 Cg_exo -69.46 141.78 66.51 Favored 'Cis proline' 0 C--N 1.345 0.349 0 C-N-CA 123.734 -1.361 . . . . 0.61 112.165 -1.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 13.3 Cg_exo -67.27 143.65 65.24 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.759 2.306 . . . . 0.42 112.487 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 67.7 mt -89.33 135.89 33.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 1.03 110.623 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.87 -21.79 17.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.14 0.495 . . . . 3.15 110.16 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.49 161.16 38.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.464 -0.789 . . . . 1.57 110.419 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 320' ' ' LEU . 23.9 mm -86.91 118.35 69.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 0.28 111.167 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.659 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 16.3 Cg_endo -66.14 138.68 52.71 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.665 2.243 . . . . 0.29 112.312 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.3 m -98.27 47.27 1.0 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.464 0.649 . . . . 1.66 110.635 -174.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -165.19 -170.2 29.82 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.489 -0.778 . . . . 0.46 111.3 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.2 p -66.82 109.85 3.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.215 0.531 . . . . 0.58 110.917 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.433 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 75.1 t90 -94.91 146.85 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.024 -0.535 . . . . 0.29 110.363 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.7 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 52.4 mtt-85 -124.9 137.36 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 1.99 111.107 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 337' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 17.3 p -80.86 178.51 8.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.63 109.962 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.6 p -55.71 -46.72 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 1.47 111.16 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.4 m -56.37 -45.47 80.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 1.67 111.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' CYS . . . . . . . . . . . . . 84.1 m -66.3 -40.06 89.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.33 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 94.8 mt -62.57 -26.01 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.85 110.709 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 342' ' ' GLN . 46.7 tt0 -97.11 12.28 33.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.41 0.624 . . . . 1.93 110.489 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -97.44 -1.33 44.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.005 0.431 . . . . 1.31 110.676 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.4 p -100.31 165.46 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.818 -0.628 . . . . 2.69 110.432 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.87 -3.2 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 5.52 110.326 -173.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 64.28 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.199 -0.909 . . . . 6.73 111.536 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.19 94.4 3.9 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.888 -0.412 . . . . 7.68 109.888 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.4 22.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.472 0.653 . . . . 9.19 110.274 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 52.94 90.06 0.09 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 115.082 -0.963 . . . . 10.48 111.035 -172.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.19 144.67 57.85 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.394 2.062 . . . . 12.51 111.534 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.79 37.35 4.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.044 0.449 . . . . 14.87 110.26 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -64.19 115.04 4.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.626 -0.715 . . . . 15.81 110.667 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.91 120.45 24.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.027 -0.533 . . . . 17.69 109.836 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.38 -0.819 . . . . 18.81 109.665 -175.384 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.659 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.773 -0.454 . . . . 0.29 109.773 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.745 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 43.8 ttm-85 -78.93 82.6 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.69 110.483 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.1 p -81.97 137.47 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.928 0.344 . . . . 0.95 111.928 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.2 mtpp -119.66 132.48 55.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.983 -0.553 . . . . 0.75 110.699 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -100.37 77.34 1.93 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.164 -0.68 . . . . 2.88 109.164 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.439 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 23.0 p -101.68 171.21 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 1.03 111.024 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.19 141.55 32.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.877 -0.602 . . . . 0.9 109.51 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -69.0 151.38 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 3.09 110.218 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -121.34 -177.0 3.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.265 -0.425 . . . . 3.53 111.89 -166.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.75 -0.643 . . . . 4.45 109.348 178.093 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.049 -0.42 . . . . 7.93 112.049 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -116.09 -170.05 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.879 -0.415 . . . . 6.29 109.879 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 25.6 mmt 63.65 27.43 14.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.558 0.694 . . . . 6.45 110.253 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -121.27 95.42 4.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.101 -0.954 . . . . 3.16 109.419 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -153.84 92.18 1.53 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.203 -0.665 . . . . 4.62 109.203 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -131.82 150.96 51.99 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.723 -0.671 . . . . 3.4 109.77 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.74 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 1.1 p30 -141.38 133.46 27.75 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.147 0.499 . . . . 1.25 109.89 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.95 156.77 27.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.557 -0.747 . . . . 1.11 109.764 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.9 11.39 33.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.671 0.272 . . . . 0.49 110.78 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.638 ' HB3' ' HG3' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -137.97 143.43 40.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.434 0.635 . . . . 2.53 110.514 174.659 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.726 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.4 t -70.53 138.29 50.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.95 -1.023 . . . . 0.21 110.98 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.402 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.24 -11.21 38.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.65 -0.705 . . . . 0.31 111.256 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 322' ' ' CYS . 88.1 t -88.85 -66.97 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.31 111.612 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.0 p -108.67 7.76 26.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.575 0.583 . . . . 0.34 112.575 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 28.0 mmt180 57.09 33.24 23.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.312 0.486 . . . . 2.38 112.312 176.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.796 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 2.6 t0 -121.47 174.19 6.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.654 -0.498 . . . . 1.54 109.654 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.05 -172.01 16.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.022 -0.609 . . . . 0.7 111.688 -176.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.65 -132.14 8.09 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.717 -0.754 . . . . 0.4 111.734 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.14 79.03 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.305 0.574 . . . . 1.91 110.246 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 59.6 mt -91.51 151.85 20.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.165 -0.925 . . . . 0.24 111.313 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.441 HG13 ' HB1' ' B' ' 1' ' ' ALA . 9.8 tt -132.53 106.09 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.21 109.064 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.929 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.0 t -89.81 146.29 24.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.355 -0.839 . . . . 1.36 111.495 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.5 t -74.65 154.2 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.117 -0.947 . . . . 0.2 111.16 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.459 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.9 t70 -60.24 -69.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.66 111.279 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.25 -4.38 89.66 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.023 -0.608 . . . . 0.37 113.884 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 72.5 m -128.38 127.41 23.67 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 117.132 0.466 . . . . 1.34 110.633 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.36 -11.32 29.7 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.088 2.525 . . . . 0.52 113.798 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -59.14 129.01 40.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.05 0.452 . . . . 1.3 111.199 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.726 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.48 145.94 39.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.444 -0.798 . . . . 0.14 108.912 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.474 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 57.8 m-85 -127.36 163.45 23.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.777 0.322 . . . . 0.21 111.407 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.558 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 41.1 m80 -90.07 145.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.188 -0.671 . . . . 0.18 109.188 170.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.27 -53.99 50.68 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.169 -0.212 . . . . 0.27 111.394 -173.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -69.86 -24.21 63.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.158 -0.473 . . . . 0.2 111.886 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 71.5 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.449 -0.341 . . . . 0.21 111.044 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.6 mt -73.09 159.18 33.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.2 111.962 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 30.7 t -140.0 114.41 7.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.508 -0.769 . . . . 0.93 109.712 174.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.512 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 12.5 Cg_exo -71.86 143.67 77.64 Favored 'Cis proline' 0 C--N 1.344 0.318 0 C-N-CA 123.728 -1.364 . . . . 0.61 111.913 -2.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.1 Cg_exo -72.21 123.76 9.45 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.662 2.241 . . . . 0.42 112.079 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.22 131.47 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 1.03 110.123 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -85.19 -25.79 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.204 0.526 . . . . 3.15 109.918 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.48 159.28 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.474 -0.785 . . . . 1.57 110.027 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 30.0 mm -77.17 116.71 59.76 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.28 111.538 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -68.7 138.0 40.21 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.926 2.417 . . . . 0.29 113.583 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.9 t -94.89 109.86 21.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.181 -0.918 . . . . 1.66 109.158 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 142.03 -170.88 24.76 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.856 -0.687 . . . . 0.46 111.583 -174.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.6 p -81.12 102.2 10.11 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.16 0.505 . . . . 0.58 111.012 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.582 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 90.5 t90 -85.5 142.37 29.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.963 -0.562 . . . . 0.29 109.612 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.574 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 20.4 mtm180 -125.74 137.85 53.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.843 -0.617 . . . . 1.99 111.121 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.5 172.97 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.365 -0.38 . . . . 0.63 110.215 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.9 m -54.53 -43.73 72.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.939 0.348 . . . . 1.47 111.939 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 37.6 t -56.36 -48.25 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.502 -0.317 . . . . 1.67 111.242 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 91.3 m -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.57 111.02 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 341' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 336' ' ' ARG . 84.6 mt -68.91 -40.64 79.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.85 110.962 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -75.79 -23.24 55.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 1.93 111.105 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -80.6 19.51 0.81 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.102 0.477 . . . . 1.31 111.545 -177.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.7 p -84.69 -164.1 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 2.69 110.423 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.71 -21.13 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 5.52 110.505 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -56.4 -52.28 65.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.747 -0.66 . . . . 6.73 110.568 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.633 ' OE2' ' HA ' ' A' ' 350' ' ' PRO . 33.6 tt0 -137.5 105.12 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.368 0.604 . . . . 7.68 109.896 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.76 16.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.881 0.848 . . . . 9.19 110.148 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -154.48 78.42 5.13 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.978 -1.01 . . . . 10.48 109.367 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' PRO . . . . . 0.633 ' HA ' ' OE2' ' A' ' 347' ' ' GLU . 33.8 Cg_endo -65.68 123.6 11.6 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.121 2.547 . . . . 12.51 112.105 -174.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 351' ' ' ARG . 5.4 mmp_? -111.51 32.04 5.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.163 -0.472 . . . . 14.87 111.547 -175.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.2 36.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.498 -0.556 . . . . 15.81 109.498 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.26 16.78 9.72 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.477 0.485 . . . . 17.69 111.799 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLU . . . . . 0.414 ' CD ' ' HD3' ' A' ' 351' ' ' ARG . 35.7 tt0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.361 -0.828 . . . . 18.81 109.48 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.441 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.877 -0.416 . . . . 0.29 109.877 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.929 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 28.1 ttm-85 -87.27 73.54 9.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.69 110.251 -173.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.63 144.12 49.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.945 -0.571 . . . . 0.95 111.585 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.74 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 49.9 mtpt -135.54 162.03 33.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.041 -0.527 . . . . 0.75 110.134 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -117.37 -55.25 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.914 -0.585 . . . . 2.88 109.723 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.5 p 49.69 -170.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.901 1.074 . . . . 1.03 113.901 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.11 149.15 25.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.705 -1.134 . . . . 0.9 108.312 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -84.28 155.52 22.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.31 0.576 . . . . 3.09 110.998 -173.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.796 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 31.8 mmmt -97.25 21.23 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.514 -0.766 . . . . 3.53 110.294 -172.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.338 -0.839 . . . . 4.45 110.397 179.567 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.19 -0.364 . . . . 7.93 112.19 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -75.44 -19.25 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 6.29 109.955 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 87.5 mtp -95.81 161.35 14.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 6.45 109.111 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -95.32 9.49 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.651 0.262 . . . . 3.16 111.431 -174.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -150.68 141.16 22.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.719 0.295 . . . . 4.62 110.571 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -146.51 145.39 30.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.05 -0.523 . . . . 3.4 109.622 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.653 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -135.59 135.2 40.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.288 -0.415 . . . . 1.25 109.959 177.644 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.508 ' OE2' ' HG2' ' A' ' 316' ' ' ARG . 21.1 mt-10 -71.03 151.9 44.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.011 -0.54 . . . . 1.11 111.052 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.9 8.02 44.44 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.113 0.482 . . . . 0.49 109.985 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.48 ' HB2' ' HD3' ' A' ' 303' ' ' ARG . 1.1 mp0 -135.81 140.64 44.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.83 -0.804 . . . . 2.53 108.83 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.574 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 43.1 t -63.96 137.07 57.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.21 110.463 178.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.652 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -69.12 -13.04 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.092 0.473 . . . . 0.31 111.244 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -76.58 -59.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.722 -0.672 . . . . 0.31 111.231 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 11.2 p -127.12 3.81 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.81 0.67 . . . . 0.34 112.81 -173.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.48 ' HD3' ' HB2' ' A' ' 298' ' ' GLU . 24.8 mmt180 57.79 39.74 26.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.54 0.57 . . . . 2.38 112.54 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.681 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.7 t0 -107.18 178.18 4.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.162 -1.051 . . . . 1.54 108.162 171.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.57 -177.01 14.94 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.659 -0.781 . . . . 0.7 112.105 -175.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.88 -128.76 6.8 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.939 -0.648 . . . . 0.4 112.068 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.54 84.29 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 1.91 110.607 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.547 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -91.99 138.48 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.559 . . . . 0.24 112.069 -176.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.3 tt -120.95 119.96 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.091 -0.958 . . . . 0.21 108.783 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.6 m -108.83 147.28 32.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.101 0.477 . . . . 1.36 110.804 -171.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.574 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.5 t -74.54 153.13 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.435 -0.802 . . . . 0.2 110.596 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.617 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 35.4 t70 -60.87 -68.11 0.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.732 0.301 . . . . 0.66 111.492 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.72 83.42 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.903 0.721 . . . . 0.37 114.903 -170.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.5 p -136.2 133.96 19.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 117.912 0.856 . . . . 1.34 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.81 -11.62 27.67 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.571 2.847 . . . . 0.52 113.989 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.508 ' HG2' ' OE2' ' A' ' 296' ' ' GLU . 54.3 mtt180 -60.71 128.35 36.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.19 0.519 . . . . 1.3 111.534 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.26 155.75 23.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.318 -0.856 . . . . 0.14 109.289 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.652 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 57.9 m-85 -137.78 168.29 19.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.008 0.433 . . . . 0.21 111.336 -174.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.8 m80 -96.13 146.29 24.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.554 -0.748 . . . . 0.18 109.116 169.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.545 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.4 mt -56.14 -53.29 58.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.54 0.209 . . . . 0.27 111.373 -174.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.31 -23.16 59.03 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.464 0.542 . . . . 0.2 112.464 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.601 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -74.8 -20.54 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.018 0.437 . . . . 0.21 110.524 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.4 154.09 38.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 0.2 111.499 175.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 24.6 t -140.54 115.07 7.44 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.392 -0.822 . . . . 0.93 109.081 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.3 137.79 47.04 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.513 -1.453 . . . . 0.61 112.374 -0.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -70.83 146.77 54.46 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.028 2.486 . . . . 0.42 112.761 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -94.43 131.7 39.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.642 -0.708 . . . . 1.03 110.328 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.747 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 7.7 ptp180 -83.51 -28.09 28.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.161 0.505 . . . . 3.15 110.403 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 329' ' ' GLU . . . . . 0.747 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 7.4 pt-20 -149.52 158.95 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.57 110.048 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 31.7 mm -72.36 125.18 91.47 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 0.28 112.26 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.82 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 18.8 Cg_endo -64.71 146.93 89.54 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.329 2.686 . . . . 0.29 112.35 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.8 p -95.01 34.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 1.66 111.748 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.2 30.62 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.604 -0.807 . . . . 0.46 111.813 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.1 p -65.09 108.15 1.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 0.58 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.445 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.5 t90 -86.34 145.16 27.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.467 -0.788 . . . . 0.29 110.084 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.574 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.2 mtt180 -118.84 134.35 55.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 1.99 110.792 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.77 173.28 9.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.533 -0.303 . . . . 0.63 110.318 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 13.8 m -53.53 -44.53 69.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.836 0.35 . . . . 1.47 111.06 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 14.8 m -56.78 -43.37 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 1.67 111.206 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 92.0 m -63.79 -42.31 97.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.95 0.405 . . . . 0.57 111.137 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.37 -42.72 82.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.85 110.8 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -76.31 -29.21 57.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.579 . . . . 1.93 111.99 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -85.87 7.11 25.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.964 0.357 . . . . 1.31 111.964 -175.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 35.9 p 50.36 92.67 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.623 0.769 . . . . 2.69 112.845 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 340' ' ' CYS . 62.5 t -83.04 -25.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 5.52 110.269 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -94.87 148.21 22.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.771 -0.649 . . . . 6.73 110.087 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.32 117.0 10.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 7.68 111.607 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.8 38.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.936 0.874 . . . . 9.19 108.843 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -147.02 87.26 6.25 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.358 -0.837 . . . . 10.48 110.432 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -81.22 125.98 5.41 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.52 2.147 . . . . 12.51 112.121 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -86.77 73.43 10.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 14.87 110.155 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -118.93 19.44 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 15.81 111.737 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 45.75 66.2 0.98 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.19 -0.913 . . . . 17.69 111.776 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.529 -0.76 . . . . 18.81 109.999 -177.517 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.82 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.188 -0.301 . . . . 0.29 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 23.4 ttm-85 -75.31 139.68 42.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.529 -0.915 . . . . 0.69 108.529 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.77 143.36 41.08 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.621 -0.432 . . . . 0.95 111.371 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp -132.96 139.44 47.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.75 110.841 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -101.39 102.13 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.514 -0.921 . . . . 2.88 108.514 170.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 p -122.79 155.44 36.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.28 0.562 . . . . 1.03 112.063 -172.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.92 133.96 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.43 -0.805 . . . . 0.9 109.694 173.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' B' ' 8' ' ' ARG . 50.6 mtm180 -66.48 148.1 52.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 3.09 110.831 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 48.2 mmtm -102.04 6.67 41.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.768 -0.651 . . . . 3.53 110.51 -172.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.251 1.184 0 CA-C-N 115.636 -0.711 . . . . 4.45 111.065 -178.247 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.632 -0.587 . . . . 7.93 111.632 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 58.48 43.52 19.38 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.35 0.595 . . . . 6.29 110.708 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 26.5 ptm -93.09 151.12 20.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.758 -0.655 . . . . 6.45 110.021 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -86.85 138.69 31.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.947 -0.76 . . . . 3.16 108.947 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -120.86 92.59 3.79 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.158 -1.053 . . . . 4.62 108.158 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 294' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 315' ' ' PRO . 27.1 tptp -119.02 137.85 53.24 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.822 -0.626 . . . . 3.4 109.539 -170.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.781 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 3.2 p30 -101.95 135.22 43.89 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.915 -0.584 . . . . 1.25 109.61 176.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.14 132.41 45.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.933 -0.576 . . . . 1.11 109.519 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.491 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 21.5 m-20 -90.31 6.08 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.49 111.34 -169.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.6 131.68 31.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.217 0.532 . . . . 2.53 110.017 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.7 t -59.79 137.92 57.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.088 -0.96 . . . . 0.21 111.67 -173.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.536 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -67.53 -12.71 60.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.754 -0.657 . . . . 0.31 111.602 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 322' ' ' CYS . 88.4 t -83.25 -66.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.31 111.272 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.4 p -114.66 6.24 15.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.439 0.533 . . . . 0.34 112.439 -173.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 59.6 30.59 20.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.304 0.573 . . . . 2.38 111.848 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.56 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 48.0 t0 -105.95 159.92 15.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.42 -0.809 . . . . 1.54 109.531 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -113.14 -166.04 16.43 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.034 -0.603 . . . . 0.7 112.032 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.536 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 104.81 -112.19 3.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.452 -0.88 . . . . 0.4 112.553 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.67 77.73 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 1.91 110.534 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.98 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -99.15 150.38 22.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.365 -0.834 . . . . 0.24 111.947 -175.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.66 111.57 19.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.494 -0.776 . . . . 0.21 109.393 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.987 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 43.5 t -94.68 147.94 22.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.727 -0.67 . . . . 1.36 111.533 -174.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.602 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.6 t -74.23 147.91 42.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.03 -0.986 . . . . 0.2 110.185 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.45 -67.27 0.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.837 -0.345 . . . . 0.66 111.238 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.13 88.56 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.871 -0.68 . . . . 0.37 113.65 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 77.1 m -130.43 126.71 22.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 117.337 0.569 . . . . 1.34 110.86 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 11.3 Cg_endo -57.93 -20.69 45.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.773 2.982 . . . . 0.52 114.976 -173.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 68.4 mtt-85 -59.17 136.73 58.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.397 0.518 . . . . 1.3 112.397 -177.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -118.34 151.99 36.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.368 -0.833 . . . . 0.14 109.164 173.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.507 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 53.2 m-85 -134.51 169.43 17.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.499 -0.318 . . . . 0.21 110.833 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -95.89 146.18 24.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.128 -0.693 . . . . 0.18 109.128 170.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.646 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.8 mt -56.19 -54.14 48.74 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.17 0.293 . . . . 0.27 111.566 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -73.39 -20.22 60.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.069 -0.514 . . . . 0.2 111.931 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 72.0 m -77.19 -23.35 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.21 111.115 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.21 155.01 41.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.2 111.155 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 2.9 m -138.72 109.13 7.84 Favored Pre-proline 0 N--CA 1.434 -1.274 0 CA-C-N 115.977 -0.556 . . . . 0.93 110.17 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.0 Cg_exo -69.96 144.59 77.52 Favored 'Cis proline' 0 C--N 1.345 0.381 0 C-N-CA 124.1 -1.208 . . . . 0.61 112.336 -1.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 7.0 Cg_exo -70.52 141.33 41.87 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.816 2.344 . . . . 0.42 112.331 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.3 mm? -91.59 124.26 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.239 -0.652 . . . . 1.03 109.239 175.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -86.29 -21.1 27.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.413 0.625 . . . . 3.15 110.165 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -137.11 152.22 49.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.139 -0.937 . . . . 1.57 110.171 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 32.6 mm -81.89 117.1 67.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.187 0.518 . . . . 0.28 111.579 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 16.7 Cg_endo -67.7 138.05 44.01 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.857 2.371 . . . . 0.29 112.964 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 23.2 m -96.37 43.93 1.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.835 0.826 . . . . 1.66 110.33 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -155.6 -172.26 22.98 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.132 -0.94 . . . . 0.46 111.296 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 24.5 p -69.5 105.37 2.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.113 0.482 . . . . 0.58 110.604 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.0 t90 -88.8 143.56 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.29 110.19 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 91.1 mtt180 -114.11 138.03 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.99 111.456 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 337' ' ' CYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 29.4 p -86.95 -175.64 5.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.422 -0.354 . . . . 0.63 110.05 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 1.5 p -55.97 -46.86 78.51 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.9 0.704 . . . . 1.47 112.9 -176.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.0 t -56.95 -42.33 79.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.72 0.295 . . . . 1.67 111.211 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.0 m -65.08 -42.34 94.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.57 111.006 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 341' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.2 mt -62.04 -37.08 83.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 0.85 111.118 -176.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -74.52 -13.55 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 1.93 111.092 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -96.21 8.54 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.972 0.415 . . . . 1.31 110.793 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.6 p -124.64 48.93 1.89 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.066 0.46 . . . . 2.69 111.246 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 45.2 t -86.58 -70.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.802 -0.444 . . . . 5.52 109.802 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 50.79 78.1 0.11 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.054 0.846 . . . . 6.73 112.522 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -104.39 154.43 19.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.48 -0.782 . . . . 7.68 109.913 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 33.2 t -89.98 68.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 9.19 109.421 -177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 63.89 80.3 0.24 Allowed Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.197 -1.365 . . . . 10.48 111.368 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -83.02 164.35 15.38 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.278 1.985 . . . . 12.51 111.508 176.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -54.3 -68.63 0.17 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.219 -0.289 . . . . 14.87 110.219 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . 63.01 31.37 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 15.81 110.574 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -114.13 -38.55 4.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.411 -0.813 . . . . 17.69 108.828 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.24 -0.886 . . . . 18.81 109.355 179.118 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.989 -0.374 . . . . 0.29 109.989 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.987 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 24.7 ttm-85 -90.74 73.69 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.69 110.118 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 134.81 47.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.035 -0.529 . . . . 0.95 111.239 -177.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.98 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.2 mtpp -120.48 156.66 31.04 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.75 110.38 -176.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -136.79 84.06 2.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.14 -0.689 . . . . 2.88 109.14 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -105.47 -178.86 3.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.908 -0.587 . . . . 1.03 111.437 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.98 132.5 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.9 109.75 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.536 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 26.4 mtm180 -84.68 140.3 31.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.986 0.422 . . . . 3.09 110.542 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -100.54 25.29 7.9 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.755 -0.657 . . . . 3.53 109.696 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.535 -0.745 . . . . 4.45 110.201 179.7 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.773 -0.531 . . . . 7.93 111.773 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -115.36 114.27 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 6.29 111.038 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -157.34 124.14 5.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.838 -0.619 . . . . 6.45 109.546 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -89.74 148.06 23.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.785 -0.45 . . . . 3.16 109.785 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 60.01 103.34 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 O-C-N 123.901 0.751 . . . . 4.62 112.192 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 294' ' ' LYS . . . . . 0.516 ' HE2' ' O ' ' A' ' 295' ' ' ASN . 18.0 tptm -68.18 144.12 55.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.966 -0.561 . . . . 3.4 109.829 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.721 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 2.6 p30 -102.29 136.84 41.4 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.085 -0.507 . . . . 1.25 109.637 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 296' ' ' GLU . . . . . 0.535 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 58.7 mt-10 -61.84 150.64 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.912 0.387 . . . . 1.11 110.292 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -108.06 4.98 25.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.785 -0.82 . . . . 0.49 108.785 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.65 124.27 18.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.545 -1.207 . . . . 2.53 108.762 177.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.631 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 22.7 t -53.38 137.89 34.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.664 -0.698 . . . . 0.21 111.415 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -62.69 -16.87 59.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.31 111.543 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.3 t -81.37 -60.86 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.946 -0.57 . . . . 0.31 111.746 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 13.3 p -120.97 3.74 10.49 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.502 0.556 . . . . 0.34 112.502 -173.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 36.1 mmt180 58.1 34.06 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.132 0.573 . . . . 2.38 112.337 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.542 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 37.2 t0 -105.32 164.69 11.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 1.54 109.255 174.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -110.79 -164.5 18.71 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.062 -0.59 . . . . 0.7 111.933 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 113.94 -131.54 9.99 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.846 -0.693 . . . . 0.4 111.891 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.62 83.44 4.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.089 0.471 . . . . 1.91 110.342 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.543 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 91.9 mt -89.8 146.79 24.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.327 -0.851 . . . . 0.24 111.811 -177.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.534 HG13 ' HB1' ' B' ' 1' ' ' ALA . 4.6 tt -123.58 107.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.125 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.812 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 41.8 t -98.68 146.63 25.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.271 0.558 . . . . 1.36 111.342 -174.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 38.8 t -74.65 152.14 39.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.125 -0.943 . . . . 0.2 111.352 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.556 ' HA ' HH21 ' B' ' 2' ' ' ARG . 20.3 t70 -60.68 -68.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.72 0.295 . . . . 0.66 111.549 175.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -82.51 -5.07 89.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.937 -0.649 . . . . 0.37 113.66 -172.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 90.9 m -129.22 128.38 23.27 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.985 0.421 . . . . 1.34 110.781 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 12.8 Cg_endo -57.4 -21.27 44.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 124.041 3.16 . . . . 0.52 113.931 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.535 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 90.7 mtt180 -60.29 127.32 31.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 1.3 112.234 -175.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -111.36 148.66 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.902 -1.044 . . . . 0.14 108.513 175.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.582 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 40.4 m-85 -131.39 171.83 12.9 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.973 0.416 . . . . 0.21 111.17 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 37.0 m80 -99.88 146.28 26.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.705 -0.85 . . . . 0.18 108.705 169.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.6 mt -55.37 -52.45 63.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.852 0.316 . . . . 0.27 111.852 -173.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.12 -23.29 61.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.2 111.944 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.575 ' HB3' HG11 ' A' ' 301' ' ' VAL . 83.3 m -75.19 -25.26 58.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.409 -0.359 . . . . 0.21 111.195 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.74 159.94 26.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.957 0.408 . . . . 0.2 111.707 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 33.3 t -139.26 112.27 7.94 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.93 109.726 174.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.505 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 8.0 Cg_exo -74.06 140.69 68.7 Favored 'Cis proline' 0 C--O 1.236 0.388 0 C-N-CA 123.901 -1.291 . . . . 0.61 112.07 -0.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.0 Cg_exo -68.31 141.19 50.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.16 2.573 . . . . 0.42 112.696 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.559 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 79.7 mt -90.81 140.28 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.502 -0.772 . . . . 1.03 110.598 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -92.82 -22.82 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 3.15 109.819 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -140.86 165.27 27.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.304 -0.862 . . . . 1.57 110.39 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.482 HD13 HD21 ' A' ' 320' ' ' LEU . 25.1 mm -84.35 125.81 71.02 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.28 111.833 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.669 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.2 Cg_endo -61.98 138.84 75.81 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.081 2.52 . . . . 0.29 112.733 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 26.2 m -93.26 46.97 1.23 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.689 . . . . 1.66 111.278 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.82 37.57 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.17 -0.772 . . . . 0.46 111.17 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.3 p -66.73 120.71 13.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 0.58 110.665 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -96.06 148.82 22.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.119 -0.491 . . . . 0.29 110.352 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.582 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.1 mtt180 -124.39 133.63 53.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 1.99 110.75 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.4 p -80.14 179.48 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.52 . . . . 0.63 110.747 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.5 p -53.46 -47.14 70.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 1.47 111.849 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 27.5 t -56.42 -42.92 78.83 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.141 -0.481 . . . . 1.67 111.157 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.9 m -61.87 -42.22 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.014 0.435 . . . . 0.57 111.276 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 64.5 mt -73.82 -38.42 64.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.85 110.783 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -79.17 -16.33 56.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 1.93 111.445 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -94.12 -2.81 52.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 1.31 111.371 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.8 p -117.28 73.6 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.301 0.572 . . . . 2.69 110.732 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 -36.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.645 -0.707 . . . . 5.52 110.32 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 61.29 88.25 0.09 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.086 -0.507 . . . . 6.73 110.152 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -60.04 134.19 56.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.419 -0.81 . . . . 7.68 111.197 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 348' ' ' VAL . 7.1 p -146.51 72.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 121.946 0.879 . . . . 9.19 111.334 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -101.91 109.49 59.87 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.076 -0.511 . . . . 10.48 109.897 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -89.52 -163.45 0.14 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.353 2.702 . . . . 12.51 111.671 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? 68.93 39.69 1.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.101 0.477 . . . . 14.87 110.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.26 61.77 4.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 15.81 109.355 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.22 129.95 35.7 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.311 -0.859 . . . . 17.69 111.322 -172.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 114.865 -1.062 . . . . 18.81 108.9 178.392 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.669 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.824 -0.435 . . . . 0.29 109.824 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 40.9 ttm-85 -75.29 77.77 2.39 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.098 0.475 . . . . 0.69 110.205 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 308' ' ' LEU . 8.6 p -81.43 140.53 34.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.95 111.392 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.656 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 52.5 mtpt -127.31 147.79 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.75 111.139 -176.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -108.5 80.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.336 -0.616 . . . . 2.88 109.336 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -101.85 155.96 17.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.106 -0.497 . . . . 1.03 110.921 -176.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HE3' ' B' ' 9' ' ' LYS . . . -67.76 137.44 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.819 -0.628 . . . . 0.9 109.8 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -67.19 134.63 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 3.09 110.207 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.537 ' HE3' ' O ' ' B' ' 7' ' ' ALA . 28.1 mmtp -95.16 -46.37 6.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.66 -0.7 . . . . 3.53 109.5 -174.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.245 0.835 0 CA-C-N 114.906 -1.043 . . . . 4.45 112.335 178.775 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.027 -0.429 . . . . 7.93 112.027 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -156.94 95.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.858 0.361 . . . . 6.29 110.833 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.4 tpt -100.36 85.72 3.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.091 0.472 . . . . 6.45 109.974 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -99.63 117.72 34.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 3.16 110.39 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.36 58.21 1.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.269 0.556 . . . . 4.62 109.701 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -137.61 142.24 41.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.621 -0.718 . . . . 3.4 110.155 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.747 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -145.68 133.9 21.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.158 0.504 . . . . 1.25 110.13 175.755 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.68 162.4 23.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.668 . . . . 1.11 110.008 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -104.61 16.37 26.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.49 111.383 -172.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.5 150.64 31.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.294 0.568 . . . . 2.53 110.396 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 53.6 t -73.08 137.29 45.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.869 -1.06 . . . . 0.21 111.305 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.431 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.67 -15.63 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.668 -0.696 . . . . 0.31 111.225 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 322' ' ' CYS . 73.0 t -82.97 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.683 -0.69 . . . . 0.31 111.736 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 15.4 p -109.62 -0.06 18.84 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.203 0.446 . . . . 0.34 112.203 -172.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 63.39 21.9 13.01 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.663 0.385 . . . . 2.38 111.887 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.748 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.5 t70 -102.91 171.56 7.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.121 -0.696 . . . . 1.54 109.121 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.55 -167.68 14.36 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.098 -0.573 . . . . 0.7 112.067 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 117.32 -141.07 16.29 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.851 -0.69 . . . . 0.4 111.797 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.96 87.4 0.37 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.392 0.615 . . . . 1.91 110.372 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 62.5 mt -91.84 147.47 22.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.349 -0.841 . . . . 0.24 111.549 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.457 HG13 ' HB1' ' B' ' 1' ' ' ALA . 7.7 tt -120.84 107.19 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.399 -0.963 . . . . 0.21 108.399 171.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.759 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.8 t -98.71 147.9 24.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.417 -0.81 . . . . 1.36 110.758 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.8 t -73.29 150.04 42.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.2 111.102 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.404 ' HA ' HH21 ' B' ' 2' ' ' ARG . 33.9 t70 -59.6 -67.45 0.38 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.378 -0.374 . . . . 0.66 111.154 177.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -86.67 6.51 82.45 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.734 -0.746 . . . . 0.37 113.822 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 85.2 m -135.89 128.47 17.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.085 0.442 . . . . 1.34 110.348 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.48 -11.88 33.73 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.064 2.509 . . . . 0.52 113.916 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -62.51 135.77 57.57 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.026 0.441 . . . . 1.3 111.427 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -114.61 150.11 35.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.14 109.15 175.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.48 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.1 m-85 -133.16 168.78 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.724 0.297 . . . . 0.21 110.908 -176.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.629 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 36.5 m80 -97.24 145.27 26.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.258 -0.645 . . . . 0.18 109.258 170.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.662 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.0 mt -52.81 -51.77 59.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.05 0.389 . . . . 0.27 112.05 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.12 -18.68 55.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.2 111.813 -174.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 77.5 m -77.01 -24.88 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.374 . . . . 0.21 110.727 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.42 156.25 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.995 -0.548 . . . . 0.2 111.4 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.8 t -140.49 117.07 7.84 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.33 -0.618 . . . . 0.93 109.33 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.57 134.46 31.12 Favored 'Cis proline' 0 C--N 1.343 0.256 0 C-N-CA 123.481 -1.466 . . . . 0.61 112.051 -0.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.42 141.03 45.45 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.807 2.338 . . . . 0.42 112.539 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -89.43 126.43 35.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.755 -0.657 . . . . 1.03 109.834 178.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.81 -25.13 38.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.607 . . . . 3.15 109.959 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.36 162.85 34.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.063 -0.971 . . . . 1.57 109.891 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.412 ' CD1' HD21 ' A' ' 320' ' ' LEU . 43.2 mm -81.48 123.79 80.71 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.797 -0.638 . . . . 0.28 111.335 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.16 133.63 36.15 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.46 2.107 . . . . 0.29 112.055 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.1 m -87.67 53.19 2.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.251 0.548 . . . . 1.66 110.986 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.19 -168.38 36.29 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.472 -0.651 . . . . 0.46 111.472 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.4 p -65.54 117.51 8.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 0.58 111.143 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.519 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.3 t90 -96.83 145.77 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.448 . . . . 0.29 109.95 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.539 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.9 mtt180 -123.88 136.49 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.903 -0.59 . . . . 1.99 110.914 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.6 p -78.51 176.45 9.4 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.236 -0.438 . . . . 0.63 110.595 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -46.93 65.71 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.224 0.327 . . . . 1.47 111.573 -177.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.9 t -57.52 -43.2 84.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.089 -0.505 . . . . 1.67 111.003 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.4 m -65.62 -41.88 92.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.57 111.314 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.2 -36.54 81.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 0.85 110.633 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -86.95 1.63 52.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 1.93 110.355 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -86.61 13.06 9.2 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.263 0.554 . . . . 1.31 110.104 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 p -71.37 61.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.139 -0.937 . . . . 2.69 111.297 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 54.3 t -52.99 -35.84 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.207 -0.906 . . . . 5.52 110.775 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -129.77 103.93 7.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.825 -0.625 . . . . 6.73 110.586 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.24 -172.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 7.68 110.182 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 58.4 t 53.84 64.81 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 122.216 1.008 . . . . 9.19 109.477 -170.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 350' ' ' PRO . 80.0 mt-30 -75.78 118.69 72.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 114.643 -1.162 . . . . 10.48 110.031 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 350' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 349' ' ' GLN . 33.6 Cg_exo -59.5 124.23 15.04 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.373 2.715 . . . . 12.51 113.061 -174.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -76.65 -24.11 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.444 -0.947 . . . . 14.87 108.444 171.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -138.07 130.84 29.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.823 -1.081 . . . . 15.81 108.714 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 350' ' ' PRO . 7.2 tp10 -160.2 145.58 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 17.69 111.02 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.36 -0.828 . . . . 18.81 109.452 172.826 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.457 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.837 -0.431 . . . . 0.29 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.759 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.0 ttm-85 -73.55 83.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.69 110.307 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.38 140.26 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.098 0.475 . . . . 0.95 112.055 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.747 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 50.5 mtpt -130.64 140.77 50.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 0.75 110.511 -177.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -80.96 -55.86 4.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.434 -0.58 . . . . 2.88 109.434 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.404 HG22 ' H ' ' B' ' 7' ' ' ALA . 0.2 OUTLIER 60.86 172.36 0.1 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.903 0.859 . . . . 1.03 113.021 167.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.404 ' H ' HG22 ' B' ' 6' ' ' THR . . . -106.09 144.24 33.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.365 -0.834 . . . . 0.9 108.929 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -81.06 155.95 26.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.889 0.376 . . . . 3.09 111.225 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.748 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 9.8 mmmm -93.8 -1.13 55.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 3.53 110.524 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.607 -0.711 . . . . 4.45 110.358 179.02 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.137 -0.385 . . . . 7.93 112.137 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 57.12 34.32 24.68 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.968 0.507 . . . . 6.29 111.863 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 16.1 tpt 56.91 62.96 2.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.92 0.867 . . . . 6.45 109.993 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -137.68 25.87 2.82 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.217 -0.901 . . . . 3.16 109.248 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -109.16 130.42 55.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.928 -1.033 . . . . 4.62 110.213 -175.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.31 132.09 45.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.222 0.534 . . . . 3.4 110.694 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.694 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -100.7 134.73 43.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.255 -0.884 . . . . 1.25 109.263 176.396 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.37 140.51 52.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.99 -0.55 . . . . 1.11 110.352 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -91.99 5.45 50.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.49 110.61 -173.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.68 133.36 36.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 2.53 109.837 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 40.4 t -63.05 137.71 58.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.791 -1.095 . . . . 0.21 112.084 -172.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.564 ' HB1' HH11 ' A' ' 316' ' ' ARG . . . -65.37 -16.83 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.42 -0.809 . . . . 0.31 111.403 178.104 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 322' ' ' CYS . 97.6 t -81.62 -70.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.876 -0.602 . . . . 0.31 111.33 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.91 -1.61 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.328 0.492 . . . . 0.34 112.328 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.49 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 26.3 mmt180 62.32 26.89 16.09 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.41 0.624 . . . . 2.38 112.18 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -104.6 176.54 5.12 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.337 -0.847 . . . . 1.54 109.174 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 305' ' ' GLY . . . . . 0.553 ' O ' ' HG2' ' B' ' 8' ' ' ARG . . . -117.76 -173.06 16.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.131 -1.033 . . . . 0.7 111.599 -176.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.608 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 120.66 -125.53 6.27 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.767 -0.73 . . . . 0.4 113.081 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -78.64 85.21 4.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 1.91 110.196 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -99.23 140.89 32.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.518 -0.764 . . . . 0.24 111.76 -174.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 11.2 tt -123.98 123.52 66.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.231 -0.895 . . . . 0.21 108.698 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 50.0 t -112.08 144.38 41.53 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.99 -0.55 . . . . 1.36 110.393 -170.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.762 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 21.1 t -74.43 150.75 39.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.785 . . . . 0.2 111.027 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.578 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 29.3 t70 -60.13 -67.01 0.43 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.525 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.44 -11.25 71.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.004 0.762 . . . . 0.37 115.004 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 12.9 p -134.48 133.85 21.91 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 118.517 1.158 . . . . 1.34 110.782 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.56 -10.44 21.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.715 2.943 . . . . 0.52 113.978 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.564 HH11 ' HB1' ' A' ' 300' ' ' ALA . 49.8 mtt180 -62.43 138.19 58.41 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.937 0.398 . . . . 1.3 111.372 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -121.6 149.66 42.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.105 -0.702 . . . . 0.14 109.105 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.636 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 59.1 m-85 -132.36 167.93 19.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.872 0.368 . . . . 0.21 110.849 -173.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.594 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 51.4 m80 -96.87 146.34 25.02 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.601 -0.889 . . . . 0.18 108.601 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 81.8 mt -54.4 -51.4 64.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.765 0.257 . . . . 0.27 111.189 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.95 -18.69 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.2 112.012 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.617 ' HB3' HG11 ' A' ' 301' ' ' VAL . 88.5 m -77.57 -23.47 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.75 0.31 . . . . 0.21 111.093 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.9 153.02 44.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.2 111.087 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 324' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 2.9 p -139.09 111.06 7.87 Favored Pre-proline 0 N--CA 1.434 -1.258 0 CA-C-N 115.628 -0.714 . . . . 0.93 110.071 175.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 324' ' ' SER . 12.2 Cg_exo -71.57 139.55 59.82 Favored 'Cis proline' 0 C--O 1.234 0.305 0 C-N-CA 123.668 -1.388 . . . . 0.61 112.479 -0.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -67.84 147.26 74.53 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.072 2.514 . . . . 0.42 112.897 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 93.5 mt -92.73 130.93 38.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.589 -0.732 . . . . 1.03 110.324 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -87.71 -22.17 24.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.213 0.53 . . . . 3.15 110.137 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.76 162.39 37.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.617 -0.72 . . . . 1.57 110.062 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 45.6 mm -79.85 117.94 69.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.008 -0.542 . . . . 0.28 111.083 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 335' ' ' TRP . 53.4 Cg_exo -49.36 141.17 25.47 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.869 3.046 . . . . 0.29 113.093 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 16.2 m -94.72 32.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.66 111.129 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -170.46 -164.24 25.85 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.827 -0.701 . . . . 0.46 111.877 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.6 p -64.72 110.2 2.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.58 111.398 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.441 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -97.05 145.46 25.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.29 110.724 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.762 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.8 mtt180 -123.39 141.17 52.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 1.99 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.63 173.11 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.63 109.271 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 8.0 m -54.45 -45.95 73.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 1.47 110.953 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 21.8 t -60.6 -43.82 96.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.216 -0.447 . . . . 1.67 110.936 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.5 m -65.31 -40.53 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.447 -0.342 . . . . 0.57 111.609 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.38 -37.29 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.85 109.817 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -79.23 -3.22 44.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.883 . . . . 1.93 111.084 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -88.79 3.05 52.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.283 0.563 . . . . 1.31 110.02 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 348' ' ' VAL . 0.3 OUTLIER -101.29 166.0 10.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.679 -0.692 . . . . 2.69 109.804 176.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.423 HG12 ' HG3' ' A' ' 346' ' ' GLN . 21.9 t -78.6 -78.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.998 0.428 . . . . 5.52 111.118 -173.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.423 ' HG3' HG12 ' A' ' 345' ' ' VAL . 37.8 mt-30 -126.88 -37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 6.73 110.096 -178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -122.7 161.96 22.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.128 -1.064 . . . . 7.68 108.128 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' VAL . . . . . 0.657 ' HA ' HG21 ' A' ' 344' ' ' THR . 8.9 p -86.78 24.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.959 0.885 . . . . 9.19 110.064 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLN . . . . . 0.467 ' HA ' ' HD3' ' A' ' 350' ' ' PRO . 23.9 pt20 -148.9 122.91 4.71 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.389 -0.823 . . . . 10.48 110.684 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 350' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 349' ' ' GLN . 10.0 Cg_endo -91.11 113.33 0.39 Allowed 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.515 2.81 . . . . 12.51 110.698 174.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -106.07 -50.44 3.17 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.492 -0.483 . . . . 14.87 110.4 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -130.57 72.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.739 -0.664 . . . . 15.81 111.054 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.14 72.62 0.26 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.713 0.768 . . . . 17.69 111.988 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--O 1.252 1.198 0 CA-C-N 115.101 -0.954 . . . . 18.81 110.065 -175.665 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.099 -0.334 . . . . 0.29 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 31.7 ttm-85 -67.38 138.72 56.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 107.636 -1.246 . . . . 0.69 107.636 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.63 148.73 49.09 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.014 -0.674 . . . . 0.95 110.999 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.644 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.2 mtpp -135.64 140.06 44.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 0.75 109.771 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -116.55 84.63 2.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 2.88 110.266 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.515 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 17.1 p -99.72 -179.06 4.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.462 -0.79 . . . . 1.03 110.282 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.89 135.36 33.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.732 -0.47 . . . . 0.9 109.732 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.608 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 53.9 mtm180 -71.95 101.55 2.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.259 0.552 . . . . 3.09 111.033 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.62 136.51 58.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.141 -0.936 . . . . 3.53 110.936 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.622 -0.704 . . . . 4.45 109.466 178.825 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.098 -0.401 . . . . 7.93 112.098 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -77.94 65.23 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.498 0.666 . . . . 6.29 110.453 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -130.94 158.17 40.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.247 -0.888 . . . . 6.45 109.997 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -157.31 10.53 0.2 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.984 0.421 . . . . 3.16 110.444 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 61.35 -179.71 0.11 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.271 -0.877 . . . . 4.62 110.84 -173.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 294' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 294' ' ' LYS . 67.3 mmtt -135.39 139.91 44.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.876 -0.602 . . . . 3.4 109.582 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.738 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -131.08 132.35 44.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.965 -0.754 . . . . 1.25 108.965 173.647 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -87.22 138.15 31.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.527 -0.761 . . . . 1.11 110.839 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.75 35.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.899 -0.591 . . . . 0.49 111.704 -172.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -155.95 143.15 19.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.585 0.707 . . . . 2.53 110.578 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.9 t -72.29 136.81 46.36 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.713 -1.13 . . . . 0.21 110.754 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.465 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -64.57 -15.46 61.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.31 111.464 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.547 HG11 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -81.95 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.31 111.496 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.4 p -110.43 6.05 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.28 0.474 . . . . 0.34 112.28 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 303' ' ' ARG . 28.9 mmt180 58.36 31.18 20.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.3 0.572 . . . . 2.38 111.872 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.536 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 55.8 t0 -111.65 159.68 17.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.471 -0.786 . . . . 1.54 109.195 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -111.08 -160.14 16.52 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.996 -0.621 . . . . 0.7 111.986 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 109.51 -123.91 7.02 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.419 -0.896 . . . . 0.4 112.222 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.43 79.22 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.576 0.703 . . . . 1.91 110.523 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.649 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 64.7 mt -90.41 153.0 20.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.24 112.281 -175.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 309' ' ' ILE . . . . . 0.428 HG13 ' HB1' ' B' ' 1' ' ' ALA . 5.7 tt -127.39 113.18 30.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.734 -1.121 . . . . 0.21 108.57 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.691 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 49.6 t -102.99 146.39 28.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.078 -0.51 . . . . 1.36 110.854 -173.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.743 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.2 t -75.55 152.3 37.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.451 -0.795 . . . . 0.2 111.43 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.632 ' HA ' HH21 ' B' ' 2' ' ' ARG . 34.5 t70 -60.71 -66.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.15 -0.477 . . . . 0.66 111.1 173.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.0 -16.54 76.66 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 114.949 0.74 . . . . 0.37 114.949 -171.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 314' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 30.1 p -134.39 133.75 21.91 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 117.978 0.889 . . . . 1.34 111.12 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 315' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 36.8 Cg_exo -62.25 -6.74 8.8 Favored 'Trans proline' 0 N--CA 1.477 0.532 0 C-N-CA 124.087 3.192 . . . . 0.52 114.308 -174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 316' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 74.0 mtt180 -63.84 130.02 42.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.003 0.43 . . . . 1.3 111.13 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -109.93 158.34 18.32 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.639 -0.874 . . . . 0.14 108.639 172.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.524 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 35.1 m-85 -139.45 171.48 14.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.856 0.36 . . . . 0.21 110.914 -176.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.536 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 45.2 m80 -99.15 145.88 26.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.664 -0.865 . . . . 0.18 108.664 168.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 64.2 mt -54.56 -53.34 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.81 0.338 . . . . 0.27 111.832 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.27 58.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.2 111.742 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.547 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.3 m -77.77 -23.55 49.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.356 -0.383 . . . . 0.21 111.465 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.613 HD13 HD23 ' A' ' 327' ' ' LEU . 23.8 mt -63.36 159.42 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.487 . . . . 0.2 112.076 177.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 32.0 t -139.33 111.87 7.83 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 115.767 -0.652 . . . . 0.93 109.443 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.4 Cg_exo -69.31 143.99 74.48 Favored 'Cis proline' 0 C--N 1.345 0.346 0 C-N-CA 123.693 -1.378 . . . . 0.61 112.11 -2.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.0 Cg_exo -71.03 135.53 27.65 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.004 2.47 . . . . 0.42 112.235 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.613 HD23 HD13 ' A' ' 323' ' ' LEU . 4.4 mm? -89.07 126.38 35.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.087 -0.506 . . . . 1.03 110.034 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -90.15 -19.61 24.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.365 0.602 . . . . 3.15 110.429 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.74 149.17 43.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 1.57 110.041 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.405 HD13 HD21 ' A' ' 320' ' ' LEU . 38.5 mm -76.33 120.16 80.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.464 . . . . 0.28 111.168 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -58.32 137.0 78.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.376 2.718 . . . . 0.29 112.44 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 49.1 m -95.55 47.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.763 -0.653 . . . . 1.66 110.535 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.78 -168.18 35.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.752 -0.658 . . . . 0.46 111.806 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.86 116.84 7.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.442 . . . . 0.58 111.15 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -99.95 147.14 25.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.255 -0.43 . . . . 0.29 111.109 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.743 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 63.6 mtt180 -126.0 136.62 53.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 1.99 110.45 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -69.59 172.2 7.74 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.551 -0.295 . . . . 0.63 110.87 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.8 m -55.06 -42.52 72.84 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.901 0.381 . . . . 1.47 110.885 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.2 m -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 1.67 111.177 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 73.5 m -66.51 -42.6 87.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.264 -0.426 . . . . 0.57 110.938 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -30.04 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.85 110.802 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.31 -15.37 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 1.93 110.49 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.62 38.8 0.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.085 0.469 . . . . 1.31 110.21 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.29 75.41 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.099 -0.955 . . . . 2.69 112.993 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 19.1 t -93.24 -4.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.97 0.891 . . . . 5.52 109.04 172.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.05 93.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.941 -1.027 . . . . 6.73 110.6 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' GLU . . . . . 0.423 ' HG3' HG23 ' A' ' 348' ' ' VAL . 8.5 tp10 -57.52 144.42 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 7.68 110.469 175.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 348' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 347' ' ' GLU . 96.9 t 61.36 86.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.488 0.661 . . . . 9.19 110.563 -175.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -58.87 144.53 81.29 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.125 -0.943 . . . . 10.48 110.021 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.93 114.37 1.89 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.966 2.444 . . . . 12.51 112.102 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 351' ' ' ARG . 8.7 tpp180 -91.51 89.66 7.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.653 -0.703 . . . . 14.87 110.15 -177.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.75 78.24 9.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.447 -0.575 . . . . 15.81 109.447 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -85.84 -42.86 13.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.541 -0.754 . . . . 17.69 109.368 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.246 0.903 0 CA-C-N 114.985 -1.007 . . . . 18.81 108.809 175.524 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.706 -0.479 . . . . 0.29 109.706 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.691 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 43.8 ttm-85 -77.79 76.18 4.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 0.69 110.207 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -77.35 146.76 36.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.188 0.518 . . . . 0.95 111.693 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.738 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.7 mtpp -131.52 131.94 43.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.75 110.076 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -103.28 72.27 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.255 0.55 . . . . 2.88 109.625 174.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.463 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 32.3 p -95.63 174.47 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.866 -0.606 . . . . 1.03 111.282 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.23 136.26 37.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.489 -0.56 . . . . 0.9 109.489 174.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -68.4 148.73 50.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.864 0.364 . . . . 3.09 110.372 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -100.96 60.85 0.95 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.206 -0.452 . . . . 3.53 109.911 -174.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.422 -0.799 . . . . 4.45 110.223 179.432 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.952 0 N-CA-C 111.55 -0.62 . . . . 7.93 111.55 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.55 22.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 6.29 111.408 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 65.9 mtt -111.52 147.31 35.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 6.45 109.921 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -154.55 151.85 29.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.416 . . . . 3.16 110.431 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -73.7 174.8 7.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.354 -0.61 . . . . 4.62 109.354 175.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -127.07 130.85 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.085 -0.384 . . . . 3.4 110.231 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.764 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.5 OUTLIER -132.85 136.38 46.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.99 -0.55 . . . . 1.25 109.825 -179.119 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.19 137.7 48.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.192 -0.458 . . . . 1.11 110.24 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.6 m-20 -89.73 13.24 14.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.272 0.558 . . . . 0.49 109.657 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 298' ' ' GLU . . . . . 0.426 ' HB3' ' C ' ' A' ' 303' ' ' ARG . 6.6 mp0 -132.43 145.61 51.33 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.284 -0.871 . . . . 2.53 108.723 174.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.2 t -70.96 138.96 50.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.468 -0.787 . . . . 0.21 110.781 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -62.71 -22.22 66.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.424 . . . . 0.31 111.3 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.541 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -75.74 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.31 111.538 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -118.17 2.56 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.804 0.668 . . . . 0.34 112.804 -172.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 303' ' ' ARG . . . . . 0.426 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 26.1 mmm180 57.14 29.77 17.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.155 0.582 . . . . 2.38 111.27 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.606 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 6.4 t0 -99.19 165.71 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.457 -0.942 . . . . 1.54 108.457 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.31 -170.41 15.71 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.724 -0.751 . . . . 0.7 112.252 -175.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.648 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 112.71 -119.36 4.9 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.463 -0.875 . . . . 0.4 112.596 177.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.81 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.76 0.791 . . . . 1.91 110.115 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.898 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 86.2 mt -106.23 150.95 25.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.519 -1.219 . . . . 0.24 111.703 -172.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.0 tt -131.88 114.51 24.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.306 -0.861 . . . . 0.21 108.811 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.775 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.7 t -103.12 147.37 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.964 -0.562 . . . . 1.36 110.972 -172.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.0 t -74.43 152.15 39.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.423 -0.808 . . . . 0.2 111.014 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.422 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.3 t70 -60.2 -68.22 0.31 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.431 -0.349 . . . . 0.66 111.221 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.24 -2.85 90.39 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.059 -0.591 . . . . 0.37 113.994 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 75.9 m -129.97 129.89 23.06 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 117.207 0.504 . . . . 1.34 110.447 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.92 -9.04 23.44 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 123.228 2.619 . . . . 0.52 113.643 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -62.41 131.63 49.88 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.896 0.379 . . . . 1.3 111.183 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.66 153.96 26.84 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.814 -0.81 . . . . 0.14 108.814 172.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.568 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 47.4 m-85 -135.78 163.44 30.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.75 0.31 . . . . 0.21 111.131 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.606 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 40.3 m80 -93.51 147.05 23.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.926 -0.768 . . . . 0.18 108.926 169.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.2 mt -55.95 -54.37 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.679 0.276 . . . . 0.27 111.351 -173.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.42 -23.27 61.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.2 112.178 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 81.6 m -76.0 -22.39 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.21 110.861 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.504 HD13 HD23 ' A' ' 327' ' ' LEU . 20.1 mt -71.49 156.9 38.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.311 0.577 . . . . 0.2 111.59 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 18.7 t -140.39 110.33 6.92 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 108.572 -0.899 . . . . 0.93 108.572 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 325' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.4 Cg_endo -74.26 144.4 80.86 Favored 'Cis proline' 0 C--O 1.233 0.231 0 C-N-CA 123.251 -1.562 . . . . 0.61 112.626 2.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 326' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.9 Cg_exo -71.94 127.73 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.82 2.347 . . . . 0.42 112.018 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.504 HD23 HD13 ' A' ' 323' ' ' LEU . 4.0 mm? -79.02 124.35 28.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.157 -0.474 . . . . 1.03 110.243 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 328' ' ' ARG . . . . . 0.6 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 15.2 ptm180 -74.86 -25.52 59.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 3.15 110.756 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' GLU . . . . . 0.6 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 5.1 pt-20 -157.15 160.47 38.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.545 -0.752 . . . . 1.57 110.054 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 28.1 mm -69.44 125.68 92.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 112.714 0.635 . . . . 0.28 112.714 -172.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 331' ' ' PRO . . . . . 0.777 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 19.6 Cg_endo -64.46 142.65 79.33 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.486 2.791 . . . . 0.29 112.178 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 14.8 m -96.07 36.63 1.3 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.907 -0.588 . . . . 1.66 111.453 -172.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -164.43 -165.85 22.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.655 -0.783 . . . . 0.46 111.833 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 2.0 p -65.19 109.8 2.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.45 . . . . 0.58 110.913 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.479 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.6 t90 -92.13 141.21 28.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.29 110.028 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.523 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 69.6 mtt85 -119.17 132.9 56.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.739 -0.664 . . . . 1.99 111.025 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.3 -179.3 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.381 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.7 p -53.2 -46.74 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 1.47 111.9 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 4.8 m -54.22 -47.85 71.7 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.126 -0.488 . . . . 1.67 111.392 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 71.6 m -66.23 -42.54 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.57 111.115 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.91 -31.54 72.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.176 0.512 . . . . 0.85 110.602 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -71.55 -23.24 61.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.606 -0.725 . . . . 1.93 110.949 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -115.0 13.96 17.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.383 -0.371 . . . . 1.31 111.412 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 43.3 p 53.51 -162.72 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.443 0.697 . . . . 2.69 111.794 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.424 HG12 ' HG2' ' A' ' 346' ' ' GLN . 41.7 t -58.81 -68.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 5.52 110.902 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.424 ' HG2' HG12 ' A' ' 345' ' ' VAL . 85.2 mm-40 -142.59 -78.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.28 -0.637 . . . . 6.73 109.28 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -150.5 137.79 19.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.915 -0.772 . . . . 7.68 108.915 172.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.09 61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.43 0.633 . . . . 9.19 109.844 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -144.44 119.37 5.95 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.745 . . . . 10.48 110.938 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.53 151.55 47.48 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.411 2.074 . . . . 12.51 110.534 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 351' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 351' ' ' ARG . 13.6 tpt180 -129.66 128.34 42.4 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.684 -0.406 . . . . 14.87 110.263 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.95 112.53 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.81 110.856 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 353' ' ' GLU . . . . . 0.427 ' HB3' ' H ' ' A' ' 354' ' ' GLU . 0.9 OUTLIER 178.39 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.973 -1.121 . . . . 17.69 107.973 -176.779 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 353' ' ' GLU . 29.2 tt0 . . . . . 0 C--O 1.25 1.126 0 O-C-N 124.613 1.196 . . . . 18.81 112.741 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.777 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.999 -0.371 . . . . 0.29 109.999 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.775 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -80.92 69.2 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.401 -0.592 . . . . 0.69 109.401 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.45 141.27 48.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.57 -0.741 . . . . 0.95 111.36 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.898 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.0 mtpp -130.24 136.18 48.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.75 109.827 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -115.49 82.66 1.79 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.174 -0.676 . . . . 2.88 109.174 171.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.518 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 40.1 p -102.3 -168.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.951 -0.568 . . . . 1.03 111.08 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.68 131.14 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.345 -0.389 . . . . 0.9 110.741 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.648 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 18.6 mtm180 -71.95 148.34 46.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.858 -0.61 . . . . 3.09 110.514 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -104.16 8.68 36.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.576 -0.898 . . . . 3.53 108.576 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.249 1.04 0 CA-C-N 114.656 -1.156 . . . . 4.45 110.773 -178.261 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.782 -0.527 . . . . 7.93 111.782 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -84.27 94.88 8.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.083 0.468 . . . . 6.29 110.259 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 95.6 mmm -92.41 92.34 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.007 -0.542 . . . . 6.45 110.722 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -98.76 3.78 47.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.291 -0.633 . . . . 3.16 109.291 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.05 142.49 57.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.986 -1.006 . . . . 4.62 110.138 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -134.11 120.39 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 3.4 111.046 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 295' ' ' ASN . . . . . 0.804 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.8 OUTLIER -139.57 136.08 34.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.617 -0.512 . . . . 1.25 109.617 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.12 141.99 31.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.392 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 297' ' ' ASP . . . . . 0.582 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 7.2 m-20 -91.02 35.36 0.91 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.072 0.463 . . . . 0.49 111.088 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.34 144.72 29.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.46 0.648 . . . . 2.53 110.29 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 299' ' ' CYS . . . . . 0.715 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.0 t -77.91 137.29 38.27 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.807 -1.088 . . . . 0.21 110.34 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ALA . . . . . 0.47 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.85 -16.83 64.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.31 111.068 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 301' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 322' ' ' CYS . 82.1 t -80.81 -61.17 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.31 112.006 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 8.4 p -120.79 9.31 10.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.733 0.642 . . . . 0.34 112.733 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 59.83 28.15 17.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.06 0.457 . . . . 2.38 111.582 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 304' ' ' ASP . . . . . 0.543 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 52.0 t0 -107.0 167.04 10.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 1.54 109.819 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -118.8 -167.96 14.01 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.426 -0.67 . . . . 0.7 111.426 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 306' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 114.98 -119.15 4.54 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.365 -0.921 . . . . 0.4 111.814 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.2 82.89 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.869 0.366 . . . . 1.91 110.077 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 308' ' ' LEU . . . . . 0.921 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -99.5 144.39 28.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 0.24 111.607 -175.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.5 tt -127.98 112.26 26.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.395 -0.82 . . . . 0.21 109.086 172.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 310' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 44.3 t -96.47 139.15 33.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.636 . . . . 1.36 111.247 -173.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 311' ' ' CYS . . . . . 0.714 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 36.3 t -75.23 146.79 40.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.727 -1.124 . . . . 0.2 111.086 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 312' ' ' ASP . . . . . 0.618 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.8 t70 -61.86 -64.92 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.66 110.965 174.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.52 -27.96 55.14 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.734 -0.666 . . . . 0.37 114.606 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 29.5 p -136.41 133.0 19.06 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 117.587 0.694 . . . . 1.34 110.262 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.63 0.42 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.378 2.719 . . . . 0.52 113.942 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -60.28 140.12 57.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 1.3 110.619 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 317' ' ' ALA . . . . . 0.715 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -116.99 157.14 26.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.653 -0.869 . . . . 0.14 108.653 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 318' ' ' PHE . . . . . 0.539 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.3 m-85 -137.1 171.37 14.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.494 0.188 . . . . 0.21 110.57 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 319' ' ' HIS . . . . . 0.561 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 53.6 m80 -100.59 146.06 27.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.017 -0.735 . . . . 0.18 109.017 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 320' ' ' LEU . . . . . 0.536 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.8 mt -55.85 -51.83 66.17 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.662 0.245 . . . . 0.27 111.662 -173.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.69 -19.84 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.266 0.469 . . . . 0.2 112.266 -176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 322' ' ' CYS . . . . . 0.597 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -78.26 -24.45 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.21 110.859 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 323' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 318' ' ' PHE . 75.6 mt -70.76 154.26 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.312 -0.404 . . . . 0.2 111.245 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 t -140.32 117.34 8.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.34 -0.615 . . . . 0.93 109.34 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.25 135.68 38.04 Favored 'Cis proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.36 -1.517 . . . . 0.61 112.063 -2.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -63.63 147.15 92.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.22 2.613 . . . . 0.42 113.006 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -95.67 127.37 41.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.63 . . . . 1.03 109.793 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -87.75 -20.89 25.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.445 0.64 . . . . 3.15 110.3 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -137.69 153.67 49.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 1.57 110.345 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 320' ' ' LEU . 31.1 mm -80.16 117.68 68.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.074 -0.512 . . . . 0.28 110.942 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.06 142.95 47.96 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.67 2.247 . . . . 0.29 112.604 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 36.6 m -103.28 106.85 17.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.873 -0.603 . . . . 1.66 109.728 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.54 -169.76 25.02 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.008 -0.837 . . . . 0.46 111.008 -173.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 p -77.22 106.72 9.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.292 0.568 . . . . 0.58 111.003 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' TRP . . . . . 0.495 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.6 t90 -92.85 143.89 25.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.873 -0.603 . . . . 0.29 109.719 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 336' ' ' ARG . . . . . 0.714 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.6 mtt180 -126.68 140.49 52.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.928 0.394 . . . . 1.99 111.024 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 337' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 18.5 p -76.65 177.68 7.33 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.933 -0.576 . . . . 0.63 109.973 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 7.8 p -56.53 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.625 0.25 . . . . 1.47 111.474 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.0 t -58.94 -42.55 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 1.67 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 89.2 m -65.81 -40.52 91.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.646 -0.252 . . . . 0.57 111.495 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 341' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.6 mt -65.73 -40.21 91.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.85 110.55 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 342' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 342' ' ' GLN . 35.4 tt0 -88.13 17.56 4.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.544 0.687 . . . . 1.93 110.268 178.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -81.7 -4.1 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 1.31 109.59 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.9 p -93.05 143.1 26.57 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.687 -0.857 . . . . 2.69 108.687 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 3.4 t -106.86 -1.44 9.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.379 0.609 . . . . 5.52 110.158 -172.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -69.32 -41.78 76.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 6.73 110.208 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.64 123.07 22.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 7.68 110.278 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.03 68.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.492 1.139 . . . . 9.19 110.23 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -109.31 123.5 36.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.096 -0.957 . . . . 10.48 111.054 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.44 149.43 39.53 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.744 2.296 . . . . 12.51 112.223 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -76.15 82.32 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 14.87 111.047 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -167.72 159.37 11.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.936 -0.575 . . . . 15.81 110.773 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 64.59 172.42 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.053 0.846 . . . . 17.69 112.636 176.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.355 -0.839 . . . . 18.81 109.119 -175.336 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.933 -0.395 . . . . 0.29 109.933 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.673 ' HD2' HD22 ' A' ' 295' ' ' ASN . 11.2 ttp180 -75.11 84.31 2.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.324 0.583 . . . . 0.69 109.678 -176.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 142.9 29.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.95 111.257 -171.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.921 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.4 mtpp -126.32 131.35 51.86 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.948 -0.569 . . . . 0.75 110.6 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -109.37 73.68 0.86 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.373 -0.603 . . . . 2.88 109.373 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.431 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 81.7 p -97.6 177.1 5.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 1.03 110.362 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.84 137.42 34.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.572 -0.529 . . . . 0.9 109.572 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.39 143.71 57.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 3.09 110.596 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -87.04 -13.83 43.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 3.53 109.467 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.441 -0.8 . . . . 4.45 109.844 173.768 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.753 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.664 -0.495 . . . . 1.25 109.664 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.0 136.57 48.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.749 -0.659 . . . . 1.11 110.531 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -87.16 0.93 54.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.215 -0.661 . . . . 0.49 109.215 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -125.44 138.08 54.0 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.543 -0.91 . . . . 2.53 108.543 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.631 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 33.5 t -66.05 138.7 57.95 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.261 -0.427 . . . . 0.21 111.293 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -66.36 -15.39 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.519 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 322' ' ' CYS . 87.5 t -81.54 -61.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.566 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.84 6.98 10.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.447 0.536 . . . . 0.34 112.447 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 24.8 mmm180 54.26 34.66 20.93 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.271 0.628 . . . . 2.38 111.584 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.584 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 19.0 t0 -102.74 166.16 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.125 -0.695 . . . . 1.54 109.125 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -109.17 -166.4 20.45 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.443 -0.884 . . . . 0.7 111.068 -174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 105.19 -125.74 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.4 112.696 176.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.18 88.47 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.322 0.582 . . . . 1.91 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.6 mt -104.11 147.74 27.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.361 -0.836 . . . . 0.24 111.564 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.413 HG13 ' HB1' ' B' ' 1' ' ' ALA . 9.6 tt -130.31 111.23 20.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.59 -0.893 . . . . 0.21 108.59 173.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -100.43 147.23 26.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 1.36 111.372 -171.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.4 t -74.94 151.6 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.847 -1.069 . . . . 0.2 111.5 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.714 ' HA ' HH21 ' B' ' 2' ' ' ARG . 22.3 t70 -60.76 -68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.144 -0.48 . . . . 0.66 111.065 175.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -79.79 -12.57 83.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.986 -0.626 . . . . 0.37 113.972 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 100.0 m -122.33 131.03 24.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 117.22 0.51 . . . . 1.34 110.754 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.83 -13.07 37.3 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.468 2.778 . . . . 0.52 113.857 -174.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -60.02 134.25 56.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.124 0.488 . . . . 1.3 111.598 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.92 147.43 39.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.264 -0.88 . . . . 0.14 108.641 171.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 44.5 m-85 -129.69 164.64 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 121.054 -0.258 . . . . 0.21 111.008 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.584 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 37.9 m80 -89.34 146.12 24.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.413 -0.588 . . . . 0.18 109.413 170.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.66 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 78.6 mt -52.33 -55.71 19.72 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.462 0.476 . . . . 0.27 111.484 -174.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.45 -26.03 59.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.2 112.346 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.58 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.4 m -72.06 -24.07 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.693 0.283 . . . . 0.21 111.293 -177.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 327' ' ' LEU . 25.8 mt -66.33 159.18 27.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.284 0.564 . . . . 0.2 112.181 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 40.6 t -139.74 108.2 7.09 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.338 -0.846 . . . . 0.93 109.415 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 13.5 Cg_exo -70.97 144.62 79.8 Favored 'Cis proline' 0 C--N 1.344 0.304 0 C-N-CA 123.747 -1.356 . . . . 0.61 112.599 0.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 8.0 Cg_exo -70.1 133.72 25.58 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.996 2.464 . . . . 0.42 112.551 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.66 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.0 mm? -79.66 131.4 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 1.03 109.342 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -100.5 -19.39 16.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.9 0.857 . . . . 3.15 108.904 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.71 151.2 36.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.383 -1.281 . . . . 1.57 109.55 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.477 ' HA ' ' HD3' ' A' ' 331' ' ' PRO . 39.8 mm -74.56 129.16 84.39 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.239 -0.437 . . . . 0.28 111.65 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 330' ' ' ILE . 1.3 Cg_endo -82.26 136.51 8.95 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.756 2.971 . . . . 0.29 112.802 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.3 t -92.65 113.56 25.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.067 -0.515 . . . . 1.66 109.651 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.05 -167.29 25.73 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.699 -0.762 . . . . 0.46 111.64 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.5 p -84.9 102.66 13.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.049 0.452 . . . . 0.58 109.917 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.455 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.0 t90 -85.65 143.05 28.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.729 -0.668 . . . . 0.29 110.229 -176.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.672 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.9 mtt180 -125.87 138.0 53.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 1.99 110.637 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.3 p -68.04 171.84 6.36 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.379 -0.373 . . . . 0.63 110.626 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 15.4 m -57.64 -42.24 83.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.519 0.199 . . . . 1.47 111.453 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.1 t -58.01 -42.67 85.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 1.67 110.756 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 87.8 m -64.5 -42.39 95.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.57 111.365 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 121.107 0.479 . . . . 0.85 110.682 -178.679 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.413 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.898 -0.408 . . . . 0.29 109.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.714 HH21 ' HA ' ' A' ' 312' ' ' ASP . 40.9 ttm-85 -80.23 67.03 5.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.261 -0.644 . . . . 0.69 109.261 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -75.72 142.31 42.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.577 -0.738 . . . . 0.95 111.363 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.753 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.0 mtpp . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.75 109.328 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.728 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 3.7 p30 . . . . . 0 N--CA 1.443 -0.785 0 N-CA-C 109.763 -0.458 . . . . 1.25 109.763 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 148.87 51.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.968 0.413 . . . . 1.11 110.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -92.24 1.9 56.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.751 -0.833 . . . . 0.49 108.751 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 134.21 52.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.294 -0.866 . . . . 2.53 108.764 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 38.4 t -66.42 138.4 57.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.173 -0.467 . . . . 0.21 110.633 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.536 ' HA ' HH11 ' A' ' 303' ' ' ARG . . . -65.24 -16.47 63.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.31 111.348 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 322' ' ' CYS . 86.7 t -82.23 -63.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.962 -0.563 . . . . 0.31 111.527 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.69 3.97 13.99 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.128 0.418 . . . . 0.34 112.128 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.536 HH11 ' HA ' ' A' ' 300' ' ' ALA . 29.5 mmm180 56.7 32.69 21.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.372 0.669 . . . . 2.38 111.8 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.421 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.7 t70 -105.81 -179.88 4.07 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.216 -0.661 . . . . 1.54 109.216 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -124.63 -179.25 15.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.657 . . . . 0.7 112.02 -175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.68 -126.28 6.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.624 -0.798 . . . . 0.4 112.186 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -75.96 88.24 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.864 0.364 . . . . 1.91 110.263 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 91.6 mt -102.16 145.76 28.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.475 0.655 . . . . 0.24 112.128 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.6 tt -128.49 115.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.019 -0.992 . . . . 0.21 109.469 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.812 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -102.03 147.11 26.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.271 0.558 . . . . 1.36 111.07 -173.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.634 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 53.2 t -75.24 154.83 37.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.066 -0.97 . . . . 0.2 111.3 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.46 ' HA ' HH21 ' B' ' 2' ' ' ARG . 21.2 t70 -60.58 -69.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.746 0.276 . . . . 0.66 111.746 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -84.89 1.92 88.56 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.907 -0.663 . . . . 0.37 113.722 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 71.5 m -131.94 127.83 21.3 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.469 . . . . 1.34 110.742 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.83 -10.82 28.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.17 2.58 . . . . 0.52 113.482 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 316' ' ' ARG . 63.5 mtt85 -60.48 130.25 45.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.82 0.343 . . . . 1.3 111.073 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.7 154.38 23.94 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.811 -0.811 . . . . 0.14 108.811 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.533 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.8 m-85 -133.48 166.15 23.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.775 0.322 . . . . 0.21 111.166 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -96.53 146.43 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.804 -0.813 . . . . 0.18 108.804 169.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.91 -51.38 69.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.757 0.28 . . . . 0.27 111.757 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.84 -19.8 60.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.379 . . . . 0.2 111.817 -176.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.555 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.9 m -79.19 -19.36 51.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 0.21 111.001 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.72 156.27 39.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.09 0.471 . . . . 0.2 111.038 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 31.9 t -139.64 108.79 7.21 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 0.93 109.414 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 9.1 Cg_exo -73.91 144.27 80.47 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.961 -1.266 . . . . 0.61 112.702 0.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.54 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 8.2 Cg_exo -70.04 133.34 24.82 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.368 2.712 . . . . 0.42 112.519 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.95 129.76 34.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 1.03 110.668 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.878 ' HG2' ' HG3' ' A' ' 329' ' ' GLU . 0.0 OUTLIER -82.21 -25.99 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 3.15 110.828 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . 0.878 ' HG3' ' HG2' ' A' ' 328' ' ' ARG . 0.0 OUTLIER -144.71 157.58 44.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 1.57 110.374 177.096 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 331' ' ' PRO . 23.5 mm -75.4 122.04 86.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.563 -0.744 . . . . 0.28 112.411 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 330' ' ' ILE . 9.8 Cg_endo -60.2 138.47 81.63 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.06 2.506 . . . . 0.29 112.314 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.5 m -94.07 53.86 1.83 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.41 0.624 . . . . 1.66 110.816 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.25 -168.17 35.41 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.536 -0.756 . . . . 0.46 111.497 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.0 p -66.07 113.17 4.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.929 0.395 . . . . 0.58 110.552 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -90.62 148.12 22.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.29 109.689 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.634 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 54.9 mtt180 -130.26 129.53 43.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.479 -0.328 . . . . 1.99 110.662 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.9 p -72.97 172.61 10.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.222 -0.445 . . . . 0.63 110.692 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.9 m -51.82 -42.71 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.36 . . . . 1.47 111.043 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.7 m -55.17 -43.42 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.674 -0.694 . . . . 1.67 111.301 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.9 m -65.96 -42.56 89.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.57 111.104 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.85 110.852 -175.48 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.96 -0.385 . . . . 0.29 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.9 ttm-85 -82.12 72.32 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.136 0.493 . . . . 0.69 109.89 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -77.58 150.53 34.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.656 0.613 . . . . 0.95 112.656 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.625 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 51.1 mtpt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.75 109.428 177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.748 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.5 p30 . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 120.854 0.359 . . . . 1.25 110.278 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.401 ' HB3' ' OE2' ' A' ' 298' ' ' GLU . 45.4 mt-10 -72.53 139.12 47.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.848 -0.615 . . . . 1.11 109.831 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . 0.69 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 20.4 m-20 -89.84 11.92 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.337 -0.392 . . . . 0.49 111.649 -171.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.401 ' OE2' ' HB3' ' A' ' 296' ' ' GLU . 0.0 OUTLIER -141.13 135.13 30.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.572 0.701 . . . . 2.53 110.166 176.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 43.2 t -59.84 137.43 58.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.759 -1.109 . . . . 0.21 111.995 -174.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -67.33 -11.61 58.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.893 -0.594 . . . . 0.31 111.233 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -82.07 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.026 -0.534 . . . . 0.31 111.282 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.93 4.28 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.043 0.386 . . . . 0.34 112.043 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.456 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 27.8 mmt180 57.98 31.04 20.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 2.38 111.886 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.506 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.6 t70 -99.72 174.03 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.303 -0.999 . . . . 1.54 108.303 175.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.83 -179.74 15.86 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.394 -0.908 . . . . 0.7 111.98 -175.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.85 -132.7 8.51 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.667 -0.778 . . . . 0.4 112.13 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.99 78.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.239 0.542 . . . . 1.91 110.251 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.677 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 20.8 mt -89.83 150.21 22.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.321 -0.854 . . . . 0.24 111.342 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.1 tt -126.52 117.25 47.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.648 -0.871 . . . . 0.21 108.648 172.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.783 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 52.3 t -104.07 146.93 28.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.274 0.559 . . . . 1.36 110.847 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.779 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.8 t -74.68 151.4 39.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.122 -0.944 . . . . 0.2 111.051 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.423 ' HA ' HH21 ' B' ' 2' ' ' ARG . 30.0 t70 -60.76 -67.0 0.44 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.974 -0.557 . . . . 0.66 111.047 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.79 -10.03 84.96 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 114.857 0.703 . . . . 0.37 114.857 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.6 p -136.58 133.68 19.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.882 0.841 . . . . 1.34 110.565 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 25.9 Cg_exo -62.49 -5.78 7.56 Favored 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 123.703 2.935 . . . . 0.52 114.208 -174.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -64.74 132.87 50.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.066 0.46 . . . . 1.3 111.565 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -112.28 153.41 27.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 0.14 108.974 173.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.618 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.5 m-85 -135.1 166.77 22.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.65 0.262 . . . . 0.21 110.532 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.5 m80 -96.08 147.9 23.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.258 -0.645 . . . . 0.18 109.258 171.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 85.5 mt -55.44 -51.99 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.218 0.324 . . . . 0.27 111.402 -173.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.26 53.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.174 0.435 . . . . 0.2 112.174 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.9 m -75.05 -25.4 58.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.21 111.335 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.0 157.71 36.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.317 0.58 . . . . 0.2 111.815 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.2 t -139.45 111.83 7.75 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 108.608 -0.886 . . . . 0.93 108.608 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.52 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.3 Cg_endo -73.87 141.55 72.09 Favored 'Cis proline' 0 C--O 1.233 0.272 0 C-N-CA 123.365 -1.514 . . . . 0.61 112.213 2.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 2.9 Cg_exo -72.01 138.09 30.4 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.891 2.394 . . . . 0.42 111.91 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -90.08 127.36 36.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.174 -0.466 . . . . 1.03 110.358 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -84.56 -23.19 29.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 3.15 110.122 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -141.25 157.25 45.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.064 -0.971 . . . . 1.57 109.665 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 28.8 mm -78.68 121.77 83.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.394 . . . . 0.28 111.378 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.9 Cg_endo -64.68 138.77 60.31 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.968 2.445 . . . . 0.29 112.618 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 46.2 m -96.32 52.07 1.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.974 -0.557 . . . . 1.66 110.647 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.22 -165.84 30.73 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.559 -0.829 . . . . 0.46 112.381 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -67.83 108.7 3.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.58 111.081 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.515 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.1 t90 -95.96 146.0 24.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.768 -0.651 . . . . 0.29 110.177 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.779 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.1 mtt180 -132.54 137.38 47.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 1.99 110.735 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.83 172.61 9.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.778 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.0 m -54.46 -45.38 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.633 0.254 . . . . 1.47 111.113 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.8 m -55.86 -43.0 76.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 1.67 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 97.6 m -65.73 -42.5 90.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.57 111.384 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.4 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.85 110.618 -178.075 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.808 -0.441 . . . . 0.29 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.783 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 48.3 ttm-85 -83.35 64.96 8.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.388 0.613 . . . . 0.69 109.641 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.25 151.4 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.408 -0.815 . . . . 0.95 111.504 -174.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.748 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.7 mtpp . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.75 110.184 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.731 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.76 -0.459 . . . . 1.25 109.76 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -69.41 144.46 53.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.176 -0.466 . . . . 1.11 110.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -91.17 0.67 57.48 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.923 0.392 . . . . 0.49 110.75 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.85 139.53 41.75 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.7 -0.682 . . . . 2.53 110.094 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.637 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 35.3 t -63.14 137.8 58.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.864 -1.062 . . . . 0.21 111.168 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.35 -19.59 66.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.31 111.324 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.593 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -75.0 -63.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.474 . . . . 0.31 111.251 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 19.1 p -116.78 3.72 12.97 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.384 0.513 . . . . 0.34 112.384 -171.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 32.7 mmt180 55.96 36.62 27.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.87 -0.605 . . . . 2.38 112.005 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.459 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.5 t0 -112.77 170.9 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.69 -0.856 . . . . 1.54 108.69 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.38 -166.77 17.4 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.85 -0.69 . . . . 0.7 111.698 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.58 -122.13 6.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.42 -0.895 . . . . 0.4 112.719 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -74.45 86.91 2.05 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.845 0.38 . . . . 1.91 110.457 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.851 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -101.03 141.08 34.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.53 0.681 . . . . 0.24 112.584 -174.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.64 HG13 ' HB1' ' B' ' 1' ' ' ALA . 2.9 tt -127.85 112.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.779 -1.1 . . . . 0.21 108.748 171.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 2.5 m -100.78 148.2 25.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 1.36 110.886 -174.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 314' ' ' CYS . 53.4 t -72.09 148.19 46.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.221 -0.899 . . . . 0.2 110.131 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.44 ' HA ' HH21 ' B' ' 2' ' ' ARG . 18.0 t70 -62.01 -67.49 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.798 -0.361 . . . . 0.66 110.678 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -68.3 -20.05 72.96 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.101 -0.5 . . . . 0.37 113.918 -173.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 311' ' ' CYS . 73.8 m -126.79 131.6 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 117.3 0.55 . . . . 1.34 110.516 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 -8.11 19.73 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.098 2.532 . . . . 0.52 113.797 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 300' ' ' ALA . 77.1 mtt180 -61.02 130.46 46.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.25 0.548 . . . . 1.3 111.33 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.89 153.76 25.0 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.257 -0.883 . . . . 0.14 108.95 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.637 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 45.6 m-85 -137.4 171.33 14.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.8 0.333 . . . . 0.21 111.233 -176.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.8 m80 -100.33 150.62 22.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.003 -0.74 . . . . 0.18 109.003 170.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.9 mt -57.27 -55.8 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.67 0.271 . . . . 0.27 111.145 -175.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.14 -25.11 61.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.542 . . . . 0.2 112.294 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.593 ' HB3' HG11 ' A' ' 301' ' ' VAL . 93.7 m -73.6 -24.12 60.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.445 -0.343 . . . . 0.21 111.423 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . 0.526 HD13 HD23 ' A' ' 327' ' ' LEU . 38.7 mt -67.69 158.38 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.227 0.537 . . . . 0.2 111.719 176.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 4.4 p -137.32 109.75 8.91 Favored Pre-proline 0 N--CA 1.435 -1.206 0 CA-C-N 115.506 -0.77 . . . . 0.93 110.506 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 15.4 Cg_exo -70.09 146.81 83.9 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.137 -1.193 . . . . 0.61 112.225 -2.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.527 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 7.5 Cg_exo -69.53 145.92 59.99 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.956 2.437 . . . . 0.42 112.214 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.562 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.4 mm? -92.35 136.07 33.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.007 -0.542 . . . . 1.03 109.897 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 328' ' ' ARG . 1.3 ptm180 -99.94 -18.16 17.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.348 0.594 . . . . 3.15 110.422 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.01 149.0 33.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.254 -0.884 . . . . 1.57 109.912 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.9 122.06 84.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 0.28 111.24 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.97 139.44 41.52 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.791 2.994 . . . . 0.29 112.972 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 m -90.18 29.94 1.17 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.563 -0.744 . . . . 1.66 111.23 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.2 -158.77 18.39 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.921 -0.657 . . . . 0.46 112.071 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.1 p -68.26 113.46 5.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.58 110.977 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.401 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.7 t90 -90.07 144.57 25.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.29 110.24 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.478 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 58.4 mtt85 -116.94 133.56 55.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 1.99 111.108 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.23 179.53 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.63 110.188 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 14.7 m -53.26 -45.77 68.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.953 0.353 . . . . 1.47 111.953 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 32.3 t -56.74 -47.09 80.81 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.863 0.363 . . . . 1.67 111.157 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.7 m -66.26 -41.55 89.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.441 -0.345 . . . . 0.57 110.843 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.85 110.868 178.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.64 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.237 -0.282 . . . . 0.29 110.237 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 45.9 ttm-85 -80.81 75.04 7.75 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.392 -0.595 . . . . 0.69 109.392 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -71.9 149.68 44.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.942 0.401 . . . . 0.95 111.791 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.851 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 51.1 mtpt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.91 -0.586 . . . . 0.75 110.429 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.715 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.2 p30 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 120.804 0.335 . . . . 1.25 110.114 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 41.3 mt-10 -71.79 136.65 47.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 1.11 109.959 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 1.9 m-20 -87.9 11.98 14.34 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.92 -0.77 . . . . 0.49 108.92 174.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -131.92 131.47 42.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.183 -0.917 . . . . 2.53 108.622 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.7 t -63.73 137.54 58.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.393 -0.367 . . . . 0.21 110.942 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.601 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -68.82 -19.34 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.31 111.01 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.647 HG11 ' HB3' ' A' ' 322' ' ' CYS . 70.1 t -76.43 -62.29 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 0.31 111.671 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -126.35 10.4 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.353 0.501 . . . . 0.34 112.353 -174.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 299' ' ' CYS . 33.9 mmt180 56.98 34.22 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 2.38 112.374 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 -175.68 3.16 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.138 -0.69 . . . . 1.54 109.138 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -132.29 -175.53 14.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.532 -0.842 . . . . 0.7 111.843 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 119.02 -127.11 7.08 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.56 -0.828 . . . . 0.4 112.435 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.67 84.49 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.148 0.499 . . . . 1.91 110.379 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.621 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 77.3 mt -95.19 144.99 25.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.571 -0.74 . . . . 0.24 112.3 -174.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.584 HG13 ' HB1' ' B' ' 1' ' ' ALA . 5.9 tt -124.23 105.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.06 -0.973 . . . . 0.21 109.171 173.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.5 m -92.72 147.85 22.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 1.36 110.726 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.786 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 34.6 t -74.56 152.51 39.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.6 -0.727 . . . . 0.2 110.783 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.592 ' HA ' HH21 ' B' ' 2' ' ' ARG . 28.1 t70 -60.79 -68.12 0.34 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.66 110.975 175.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -74.01 -10.39 80.88 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.664 0.626 . . . . 0.37 114.664 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.7 p -136.41 134.1 19.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 117.757 0.778 . . . . 1.34 110.148 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.9 -9.24 13.66 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 123.53 2.82 . . . . 0.52 114.108 -172.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.405 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 58.8 mtt180 -60.14 131.18 50.03 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.978 0.418 . . . . 1.3 111.624 -177.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.706 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.16 151.11 28.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 0.14 109.009 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 49.5 m-85 -135.59 169.52 17.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.808 0.337 . . . . 0.21 110.922 -176.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 54.0 m80 -100.38 145.83 27.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.77 -0.826 . . . . 0.18 108.77 169.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 327' ' ' LEU . 81.3 mt -55.78 -51.91 65.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 0.27 111.473 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.24 -15.17 60.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.2 111.765 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.647 ' HB3' HG11 ' A' ' 301' ' ' VAL . 74.6 m -82.84 -20.0 36.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.21 110.801 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 61.4 mt -75.71 154.66 36.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 0.2 111.386 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 23.0 t -139.99 110.08 7.14 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.782 -0.645 . . . . 0.93 109.512 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 10.6 Cg_exo -71.93 146.86 87.02 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 123.601 -1.416 . . . . 0.61 112.441 0.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.1 Cg_exo -74.98 139.01 23.84 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.81 2.34 . . . . 0.42 112.463 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.428 ' HB2' HD22 ' A' ' 320' ' ' LEU . 4.0 mm? -86.76 127.55 34.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 1.03 109.798 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -78.1 -26.63 48.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 3.15 110.585 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.05 161.48 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 1.57 110.316 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.422 HD13 HD21 ' A' ' 320' ' ' LEU . 34.2 mm -76.69 119.15 76.18 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.28 111.363 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.54 135.49 39.32 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.682 2.254 . . . . 0.29 112.102 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.7 t -94.03 57.52 2.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.487 0.66 . . . . 1.66 110.489 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -171.62 -170.47 35.68 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.934 -0.866 . . . . 0.46 110.934 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -65.42 114.37 4.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.147 0.499 . . . . 0.58 110.597 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.56 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 86.5 t90 -101.01 146.46 27.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.967 -0.56 . . . . 0.29 110.274 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.786 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 59.2 mtt180 -127.74 139.59 52.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 1.99 110.849 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -72.86 174.33 7.9 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.106 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 38.4 t -56.14 -44.95 79.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.775 0.321 . . . . 1.47 110.676 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.7 m -55.22 -45.98 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.67 111.138 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 81.4 m -66.71 -43.11 85.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.57 111.847 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 N--CA 1.463 0.203 0 CA-C-O 121.442 0.639 . . . . 0.85 110.759 -178.425 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.584 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.698 -0.482 . . . . 0.29 109.698 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -77.28 84.96 3.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.019 -0.537 . . . . 0.69 110.524 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -87.14 139.26 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.732 0.641 . . . . 0.95 112.732 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.715 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 27.2 mtpp . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.269 -0.878 . . . . 0.75 109.327 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.857 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.3 p30 . . . . . 0 N--CA 1.447 -0.58 0 CA-C-O 120.629 0.252 . . . . 1.25 110.4 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.43 134.15 47.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.829 -0.434 . . . . 1.11 109.829 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . 0.742 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 5.9 m-20 -86.85 9.9 17.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.463 -0.569 . . . . 0.49 109.463 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -127.68 135.26 49.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.409 -0.96 . . . . 2.53 108.409 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.608 ' O ' ' HD2' ' A' ' 303' ' ' ARG . 42.8 t -66.98 138.12 57.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.89 0.376 . . . . 0.21 110.839 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -68.73 -15.8 63.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.331 . . . . 0.31 111.386 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.614 HG11 ' HB3' ' A' ' 322' ' ' CYS . 74.0 t -79.02 -62.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.475 . . . . 0.31 111.414 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -119.03 5.18 11.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.982 0.42 . . . . 0.34 112.018 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.608 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 28.2 mmm180 54.92 35.93 25.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.542 -0.754 . . . . 2.38 111.38 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.468 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.4 t70 -102.43 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.631 -0.878 . . . . 1.54 108.631 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.54 -175.91 15.13 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.552 -0.833 . . . . 0.7 111.876 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 121.84 -128.6 7.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.731 -0.747 . . . . 0.4 112.2 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.87 92.1 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.098 0.475 . . . . 1.91 110.266 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.868 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.3 mt -104.0 146.7 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.24 111.806 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 4.4 tt -125.78 114.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.275 -0.875 . . . . 0.21 109.187 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 40.8 t -100.46 142.57 31.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.395 0.617 . . . . 1.36 111.682 -172.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.2 t -74.44 141.29 45.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.93 -1.032 . . . . 0.2 110.085 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.11 -64.56 0.91 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.992 0.425 . . . . 0.66 110.911 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -63.39 -21.3 64.3 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.974 -0.557 . . . . 0.37 114.307 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 81.8 m -135.87 131.98 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 117.632 0.716 . . . . 1.34 110.899 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 27.2 Cg_exo -60.52 -14.69 31.99 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.628 2.885 . . . . 0.52 114.2 -172.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -58.14 132.95 55.06 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.001 0.429 . . . . 1.3 111.43 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -113.06 152.33 29.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 0.14 109.15 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 38.9 m-85 -132.54 162.22 31.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.615 0.245 . . . . 0.21 110.753 -175.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.578 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.6 m80 -93.49 146.13 24.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 0.18 109.077 170.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 92.1 mt -56.67 -54.38 46.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.747 0.308 . . . . 0.27 111.211 -173.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.11 -17.31 60.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.529 . . . . 0.2 112.122 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.614 ' HB3' HG11 ' A' ' 301' ' ' VAL . 80.4 m -79.53 -21.15 45.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.886 0.374 . . . . 0.21 111.026 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.84 154.71 38.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 0.2 111.715 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.9 t -139.88 107.45 6.94 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.171 -0.922 . . . . 0.93 108.762 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 87.4 Cg_endo -76.61 143.58 76.46 Favored 'Cis proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.508 -1.455 . . . . 0.61 112.735 5.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.4 Cg_exo -75.18 144.04 29.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.841 2.361 . . . . 0.42 112.178 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.571 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -95.82 132.66 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 1.03 109.958 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.164 0.507 . . . . 3.15 109.933 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.58 160.23 39.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.576 -0.738 . . . . 1.57 109.893 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 330' ' ' ILE . 29.5 mm -80.49 121.87 81.88 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.992 -0.549 . . . . 0.28 111.768 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 9.6 Cg_endo -57.79 139.38 90.13 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.463 2.775 . . . . 0.29 112.767 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 p -89.43 38.43 0.9 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.511 -0.768 . . . . 1.66 111.395 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -166.4 -170.92 31.93 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.489 -0.644 . . . . 0.46 111.489 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 36.9 p -66.15 112.0 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.819 0.343 . . . . 0.58 110.368 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.456 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 82.9 t90 -84.92 145.74 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.29 110.102 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.528 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 93.8 mtt180 -119.7 132.3 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 1.99 110.647 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.15 177.27 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.029 -0.532 . . . . 0.63 110.304 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.9 m -53.2 -43.94 67.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.682 -0.235 . . . . 1.47 111.279 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 42.4 t -55.97 -51.44 67.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 1.67 111.011 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.4 m -60.85 -42.44 97.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.57 111.098 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.85 110.611 -178.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.226 -0.287 . . . . 0.29 110.226 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 2' ' ' ARG . 16.1 ttp180 -82.12 80.47 8.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.462 0.649 . . . . 0.69 110.098 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.24 151.24 39.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.68 -0.691 . . . . 0.95 112.036 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.75 110.224 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.754 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 120.897 0.379 . . . . 1.25 111.229 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.7 139.72 53.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 1.11 110.157 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -89.73 13.01 15.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.07 -0.715 . . . . 0.49 109.07 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -128.81 138.46 52.08 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.53 108.491 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 42.9 t -71.64 138.2 48.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.002 0.43 . . . . 0.21 111.188 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -69.64 -13.08 62.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.31 111.38 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 322' ' ' CYS . 78.1 t -83.54 -59.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.957 -0.565 . . . . 0.31 111.448 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.91 8.5 8.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.386 0.513 . . . . 0.34 112.386 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 26.0 mmm180 57.0 30.64 18.5 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.026 -0.534 . . . . 2.38 111.668 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.512 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.9 t70 -101.65 174.39 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.212 -0.662 . . . . 1.54 109.212 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.65 -174.36 14.72 Favored Glycine 0 C--N 1.318 -0.419 0 C-N-CA 120.897 -0.668 . . . . 0.7 111.906 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 116.48 -119.78 4.63 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.314 -0.946 . . . . 0.4 112.364 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.95 87.22 6.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 1.91 110.376 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 83.8 mt -102.3 149.79 23.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.678 -0.692 . . . . 0.24 111.803 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.0 tt -132.48 118.15 34.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.257 -0.883 . . . . 0.21 109.266 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.86 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 48.9 t -103.09 147.48 26.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.465 0.65 . . . . 1.36 111.251 -174.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 50.5 t -74.79 153.14 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.97 -1.013 . . . . 0.2 111.326 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.52 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 21.5 t0 -60.46 -67.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.998 0.428 . . . . 0.66 110.862 174.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -80.87 -1.28 89.53 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.162 -0.542 . . . . 0.37 114.258 -173.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 76.6 m -135.54 132.84 19.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.739 0.769 . . . . 1.34 111.263 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 16.0 Cg_exo -66.54 -12.53 36.19 Favored 'Trans proline' 0 N--CA 1.472 0.248 0 C-N-CA 123.856 3.037 . . . . 0.52 113.583 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.32 133.63 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 1.3 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -113.57 153.27 29.08 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.686 -0.857 . . . . 0.14 108.686 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.464 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 39.3 m-85 -134.15 168.0 19.65 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.632 0.254 . . . . 0.21 110.42 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.524 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 52.0 m80 -95.75 145.71 25.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 0.18 108.752 169.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.517 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.5 mt -57.01 -51.56 68.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.66 0.267 . . . . 0.27 111.066 -172.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.33 62.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.2 112.132 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.623 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.0 m -72.17 -20.69 61.56 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.779 0.323 . . . . 0.21 110.926 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.49 155.7 40.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.262 0.553 . . . . 0.2 111.207 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.446 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 24.7 t -141.38 113.76 6.74 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.21 -0.905 . . . . 0.93 108.967 172.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.51 133.34 29.36 Favored 'Cis proline' 0 C--O 1.233 0.255 0 C-N-CA 123.644 -1.399 . . . . 0.61 112.598 0.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 324' ' ' SER . 17.8 Cg_endo -64.23 142.39 79.66 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.068 2.512 . . . . 0.42 112.901 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -92.92 134.99 34.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.397 -0.82 . . . . 1.03 109.688 177.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -89.61 -25.72 21.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.163 0.506 . . . . 3.15 110.094 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -144.59 158.15 43.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.59 -0.732 . . . . 1.57 110.343 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 41.2 mm -75.4 122.46 87.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.28 111.439 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -56.84 138.1 84.27 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.255 2.637 . . . . 0.29 112.62 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 p -91.96 40.73 1.05 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.689 0.756 . . . . 1.66 110.407 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -172.23 -172.7 38.31 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.254 -0.885 . . . . 0.46 111.02 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 p -64.53 114.67 4.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.303 0.573 . . . . 0.58 111.375 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.443 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.6 t90 -89.4 143.85 26.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.29 109.795 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.553 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.8 mtt180 -122.33 136.9 54.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 1.99 110.858 -178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.02 174.46 11.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.462 -0.57 . . . . 0.63 109.462 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 49.2 m -53.75 -43.8 69.46 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.137 0.421 . . . . 1.47 112.137 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 35.8 t -60.17 -44.04 95.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.281 . . . . 1.67 111.14 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 86.0 m -60.71 -40.95 94.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.57 111.103 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.85 110.376 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.663 -0.495 . . . . 0.29 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.86 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 35.8 ttm-85 -83.34 70.19 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.381 0.61 . . . . 0.69 109.864 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.67 142.55 49.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.579 -0.737 . . . . 0.95 111.427 -175.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.672 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.7 mtpp . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.75 110.235 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.812 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.691 0 CA-C-O 120.972 0.415 . . . . 1.25 110.598 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.505 ' HG3' ' HB2' ' A' ' 315' ' ' PRO . 43.9 mt-10 -83.44 151.05 25.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.486 -0.779 . . . . 1.11 109.658 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -101.79 19.59 17.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.929 0.395 . . . . 0.49 111.281 -171.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.37 135.94 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.533 0.682 . . . . 2.53 110.169 173.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 41.2 t -64.45 137.54 57.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.867 -1.061 . . . . 0.21 111.625 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.6 -0.727 . . . . 0.31 111.254 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 322' ' ' CYS . 73.5 t -78.43 -67.33 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.946 -0.57 . . . . 0.31 111.856 -178.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.12 0.25 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.34 112.323 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 31.2 mmt180 61.46 28.64 17.94 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.292 0.568 . . . . 2.38 111.682 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.456 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.8 t0 -100.32 179.12 4.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.448 -0.945 . . . . 1.54 108.448 174.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -133.84 -168.42 11.82 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.751 -0.738 . . . . 0.7 112.026 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 111.98 -119.84 5.17 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.629 -0.796 . . . . 0.4 112.072 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.46 82.08 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.241 0.543 . . . . 1.91 110.431 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 58.8 mt -95.34 150.51 20.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.532 -0.758 . . . . 0.24 111.888 -176.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.45 114.49 31.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.359 -0.837 . . . . 0.21 109.066 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.727 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.9 m -102.4 148.32 25.63 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 1.36 110.926 -172.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 33.7 t -74.17 152.54 39.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.2 111.102 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.551 ' HA ' HH21 ' B' ' 2' ' ' ARG . 36.1 t70 -60.34 -67.03 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.166 -0.47 . . . . 0.66 110.856 175.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -73.11 -14.39 78.97 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.815 -0.629 . . . . 0.37 114.606 -172.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 28.0 p -136.8 132.25 18.38 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 117.855 0.828 . . . . 1.34 110.312 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.505 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 29.4 Cg_endo -64.05 -4.37 7.48 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.223 2.615 . . . . 0.52 114.264 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -57.4 123.85 16.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.969 0.414 . . . . 1.3 110.959 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -106.69 151.46 25.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.605 -0.725 . . . . 0.14 109.563 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.587 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 51.9 m-85 -134.27 169.94 16.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.849 0.357 . . . . 0.21 110.578 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.604 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.1 m80 -98.77 146.21 26.14 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.223 -0.658 . . . . 0.18 109.223 170.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.67 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 96.3 mt -54.4 -52.11 62.72 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 123.37 0.419 . . . . 0.27 111.691 -173.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -75.75 -19.76 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 0.2 111.85 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.2 m -77.17 -22.19 52.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.483 -0.326 . . . . 0.21 110.98 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.04 158.33 36.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.004 0.431 . . . . 0.2 111.373 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.3 t -140.5 114.73 7.43 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.854 -0.612 . . . . 0.93 109.512 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.518 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.8 Cg_exo -71.39 139.93 61.82 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.699 -1.376 . . . . 0.61 111.836 -1.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.518 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.2 Cg_exo -67.91 142.35 56.81 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.969 2.446 . . . . 0.42 112.504 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -92.35 128.32 38.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.846 -0.616 . . . . 1.03 110.406 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -83.12 -22.41 33.36 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.213 0.53 . . . . 3.15 110.131 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.49 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.331 -0.85 . . . . 1.57 110.016 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' B' ' 1' ' ' ALA . 31.3 mm -72.89 126.79 90.36 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.28 112.126 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.604 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.4 Cg_endo -64.88 137.2 52.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.909 2.406 . . . . 0.29 112.115 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.2 t -93.2 52.44 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.607 -0.724 . . . . 1.66 110.5 -171.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.68 -170.58 39.39 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.851 -0.9 . . . . 0.46 110.851 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.6 p -65.74 120.46 13.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.296 0.569 . . . . 0.58 110.51 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -100.45 145.69 27.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.835 -0.621 . . . . 0.29 110.0 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.668 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.6 mtt180 -124.91 137.26 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 1.99 110.666 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 21.7 p -77.75 177.85 7.83 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.234 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.2 m -56.65 -46.53 81.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.668 -0.242 . . . . 1.47 111.157 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 48.9 m -57.24 -42.8 82.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.579 -0.282 . . . . 1.67 111.278 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 84.8 m -61.36 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.57 111.05 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.245 0.545 . . . . 0.85 110.29 -178.46 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.604 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.619 0.247 . . . . 0.29 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 35.0 ttm-85 -77.25 85.74 3.69 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.69 110.107 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.53 139.7 30.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.785 0.326 . . . . 0.95 110.96 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.8 mtpp . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.75 110.354 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.729 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 6.5 p30 . . . . . 0 N--CA 1.446 -0.643 0 CA-C-O 121.3 0.572 . . . . 1.25 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.11 143.1 32.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.508 -0.769 . . . . 1.11 109.965 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . 0.512 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.5 m-20 -87.21 11.83 13.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.898 0.333 . . . . 0.49 111.898 -173.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.82 145.81 35.14 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.447 0.642 . . . . 2.53 110.576 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.5 t -75.52 137.43 40.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.566 -1.197 . . . . 0.21 111.745 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.02 -14.77 62.25 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.637 -0.71 . . . . 0.31 111.481 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.639 HG11 ' HB3' ' A' ' 322' ' ' CYS . 74.3 t -82.55 -64.56 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.31 111.749 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' ' 304' ' ' ASP . 4.3 p -114.37 5.65 15.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.524 0.565 . . . . 0.34 112.524 -173.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 62.15 20.95 12.08 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.509 0.671 . . . . 2.38 110.79 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.637 ' HB2' ' SG ' ' A' ' 302' ' ' CYS . 0.2 OUTLIER -92.02 164.21 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.368 -0.833 . . . . 1.54 110.661 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -114.51 -175.37 18.72 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 110.768 -0.933 . . . . 0.7 110.768 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.65 -136.03 10.13 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.335 -0.936 . . . . 0.4 111.911 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.46 91.56 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 1.91 110.148 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.855 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 77.0 mt -100.07 149.31 23.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.829 -0.623 . . . . 0.24 111.954 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.611 HG13 ' HB1' ' B' ' 1' ' ' ALA . 6.2 tt -128.89 108.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.169 -0.923 . . . . 0.21 109.371 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.823 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.1 t -95.84 147.55 23.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.361 0.601 . . . . 1.36 111.255 -176.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.9 t -74.99 155.64 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.029 -0.987 . . . . 0.2 111.47 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 17.9 t70 -59.92 -68.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.207 -0.451 . . . . 0.66 111.163 174.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.48 -4.04 86.11 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.845 -0.693 . . . . 0.37 113.671 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 72.0 m -129.23 132.63 24.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.276 0.538 . . . . 1.34 110.999 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 14.1 Cg_exo -67.0 -15.84 47.94 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.497 2.798 . . . . 0.52 113.785 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 88.6 mtt180 -59.44 129.86 44.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.062 0.458 . . . . 1.3 111.771 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -107.28 148.7 28.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.402 -0.817 . . . . 0.14 108.826 171.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.482 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 38.0 m-85 -131.96 171.4 13.62 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.724 0.297 . . . . 0.21 110.322 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.3 m80 -100.47 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.208 -0.664 . . . . 0.18 109.208 170.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.676 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 73.7 mt -54.08 -55.27 29.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.905 0.383 . . . . 0.27 111.623 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.9 -20.77 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.637 -0.711 . . . . 0.2 112.135 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.639 ' HB3' HG11 ' A' ' 301' ' ' VAL . 74.5 m -78.74 -25.5 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.21 111.563 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . 0.471 HD13 HD23 ' A' ' 327' ' ' LEU . 38.1 mt -65.5 160.29 22.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.2 111.603 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 23.2 t -139.05 110.95 7.87 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.099 -0.5 . . . . 0.93 109.864 174.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.9 Cg_exo -71.85 144.79 81.15 Favored 'Cis proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.695 -1.377 . . . . 0.61 112.249 -1.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 10.1 Cg_exo -67.96 138.1 43.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.967 2.445 . . . . 0.42 112.241 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.6 mm? -85.65 127.88 34.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 1.03 109.791 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -84.82 -18.57 34.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.404 0.621 . . . . 3.15 110.436 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.66 158.52 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.083 -0.962 . . . . 1.57 110.435 -172.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.484 HD13 HD21 ' A' ' 320' ' ' LEU . 31.1 mm -81.78 114.02 47.09 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 0.28 110.059 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.61 133.08 37.95 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.848 2.365 . . . . 0.29 112.369 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 15.4 t -90.48 59.99 4.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.622 0.725 . . . . 1.66 109.865 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 179.08 -168.37 39.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.313 -0.858 . . . . 0.46 111.26 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.64 115.01 6.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.047 0.451 . . . . 0.58 110.871 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.549 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.2 t90 -96.56 147.08 24.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.29 110.048 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.564 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 97.2 mtt180 -124.94 134.21 52.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 1.99 111.098 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.7 p -78.68 175.08 10.75 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.198 -0.455 . . . . 0.63 109.966 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 19.6 m -52.07 -42.3 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.917 0.34 . . . . 1.47 111.917 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.8 m -55.71 -49.22 73.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.825 0.345 . . . . 1.67 111.572 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 82.1 m -65.98 -43.37 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.643 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.85 111.131 -178.641 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.879 -0.415 . . . . 0.29 109.879 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.823 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 33.7 ttm-85 -82.84 76.04 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.234 0.54 . . . . 0.69 109.918 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p -76.79 148.36 36.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.686 0.624 . . . . 0.95 112.686 -172.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.855 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 29.3 mtpp . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.177 -0.92 . . . . 0.75 109.245 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.778 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.3 p30 . . . . . 0 N--CA 1.449 -0.485 0 CA-C-O 120.807 0.337 . . . . 1.25 110.341 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.414 ' O ' ' HE2' ' B' ' 4' ' ' LYS . 39.1 mt-10 -77.79 145.84 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.571 -0.529 . . . . 1.11 109.571 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . 0.613 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 40.6 m-20 -91.16 35.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.054 -0.258 . . . . 0.49 110.66 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 0.2 OUTLIER -141.88 153.98 44.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.412 0.625 . . . . 2.53 111.161 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 39.8 t -88.83 136.43 33.01 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.823 -1.08 . . . . 0.21 109.443 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.617 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.23 -14.25 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.022 0.439 . . . . 0.31 111.476 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.504 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -79.28 -56.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 0.31 111.213 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -123.01 6.19 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.191 0.811 . . . . 0.34 113.191 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 58.89 33.04 22.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.098 0.475 . . . . 2.38 111.543 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.48 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 3.9 t70 -114.37 177.69 4.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.586 -0.524 . . . . 1.54 109.586 -178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -126.82 -167.74 12.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.082 -0.58 . . . . 0.7 111.958 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 115.3 -119.74 4.72 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.034 -1.079 . . . . 0.4 111.984 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -80.97 85.61 6.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.314 0.578 . . . . 1.91 110.176 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.919 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 92.9 mt -102.55 142.67 33.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.318 -0.855 . . . . 0.24 111.907 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 7.4 tt -123.42 116.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.312 -0.858 . . . . 0.21 109.011 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 52.7 t -105.17 144.07 32.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 1.36 111.37 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 40.6 t -74.84 142.27 44.17 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.2 109.336 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.16 -64.79 0.83 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.414 -0.515 . . . . 0.66 111.478 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.85 -3.16 59.0 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.111 -0.566 . . . . 0.37 114.399 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 95.0 m -136.59 127.19 16.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 117.685 0.742 . . . . 1.34 110.743 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.412 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 47.3 Cg_endo -66.48 -10.39 27.61 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.211 2.607 . . . . 0.52 113.735 -171.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.617 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 25.6 mtt180 -63.33 136.45 57.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 1.3 111.524 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.639 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.29 162.6 16.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.583 -0.735 . . . . 0.14 109.138 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 56.0 m-85 -142.55 165.89 26.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.21 110.534 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.496 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.8 m80 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.29 -0.633 . . . . 0.18 109.29 171.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 65.5 mt -56.57 -52.06 66.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.03 0.206 . . . . 0.27 111.288 -173.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.87 57.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.245 0.461 . . . . 0.2 112.245 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.5 m -79.15 -18.8 52.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.059 0.457 . . . . 0.21 110.66 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.76 152.2 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.081 0.467 . . . . 0.2 110.844 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -140.44 113.01 7.25 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.658 -0.701 . . . . 0.93 109.267 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.06 137.75 48.57 Favored 'Cis proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.284 -1.548 . . . . 0.61 112.576 0.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.85 147.84 75.63 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.88 2.386 . . . . 0.42 112.079 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -95.62 123.78 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.183 0.516 . . . . 1.03 110.732 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 328' ' ' ARG . 11.5 ptp180 -78.95 -27.07 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 3.15 110.77 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -142.28 154.17 44.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.632 -0.713 . . . . 1.57 109.655 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.41 ' CD1' HD21 ' A' ' 320' ' ' LEU . 25.4 mm -79.2 119.31 76.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.113 0.483 . . . . 0.28 111.699 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 11.3 Cg_endo -63.13 139.11 70.95 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.951 2.434 . . . . 0.29 112.169 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 t -98.13 48.4 1.0 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.401 0.619 . . . . 1.66 110.189 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.37 -169.74 27.26 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.435 -0.802 . . . . 0.46 111.124 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.1 p -66.88 108.5 2.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.247 0.546 . . . . 0.58 110.754 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.489 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.9 t90 -88.81 142.53 27.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.29 109.755 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.506 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 79.1 mtt180 -114.92 133.26 56.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.037 -0.529 . . . . 1.99 110.635 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 28.5 p -78.19 176.42 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.974 -0.38 . . . . 0.63 109.974 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.8 m -51.57 -45.86 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.18 0.3 . . . . 1.47 111.76 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.3 m -56.43 -46.72 80.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.241 -0.436 . . . . 1.67 111.176 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.8 m -66.88 -42.72 85.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.57 111.441 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.85 111.046 -178.094 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.95 -0.389 . . . . 0.29 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.412 ' HG2' HD22 ' A' ' 295' ' ' ASN . 23.7 ttp180 -80.25 83.46 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.521 . . . . 0.69 109.885 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -83.21 147.26 28.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.425 0.631 . . . . 0.95 112.548 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.919 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.8 mtpp . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.252 -0.885 . . . . 0.75 110.027 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.745 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.917 0 CA-C-O 120.953 0.406 . . . . 1.25 110.47 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.45 140.89 57.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.599 -0.728 . . . . 1.11 110.401 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.93 7.74 35.85 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.233 -0.654 . . . . 0.49 109.233 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 3.1 mp0 -131.65 142.67 49.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.533 -0.914 . . . . 2.53 108.533 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 38.0 t -69.14 138.19 53.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.403 -0.817 . . . . 0.21 110.314 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.419 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -59.85 -24.09 63.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.148 0.499 . . . . 0.31 111.013 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.563 HG11 ' HB3' ' A' ' 322' ' ' CYS . 72.9 t -75.35 -65.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.498 -0.774 . . . . 0.31 111.592 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.7 p -114.54 3.72 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.942 0.719 . . . . 0.34 112.942 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.427 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 29.4 mmm180 56.95 32.88 22.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.826 0.45 . . . . 2.38 111.281 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.607 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 1.2 t70 -104.03 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.636 -0.505 . . . . 1.54 109.636 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.89 13.59 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.462 -0.875 . . . . 0.7 112.335 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 115.8 -125.71 6.79 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.743 -0.741 . . . . 0.4 112.167 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.98 84.89 6.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.402 0.62 . . . . 1.91 110.567 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -95.9 146.51 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.175 -0.921 . . . . 0.24 111.935 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.408 HG13 ' HB1' ' B' ' 1' ' ' ALA . 8.1 tt -124.64 112.16 31.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.105 -0.952 . . . . 0.21 109.165 171.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.7 m -101.89 148.79 24.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.926 -0.579 . . . . 1.36 110.399 -173.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.7 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 41.8 t -74.32 150.85 39.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.849 -0.614 . . . . 0.2 110.98 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.9 t70 -61.21 -67.1 0.44 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.263 -0.426 . . . . 0.66 110.885 175.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.4 -14.04 74.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 114.934 0.734 . . . . 0.37 114.934 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 16.3 p -136.44 134.04 19.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 118.027 0.914 . . . . 1.34 110.507 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.31 -6.93 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.777 2.984 . . . . 0.52 114.814 -173.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -62.42 131.89 50.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.371 . . . . 1.3 111.843 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.3 155.25 23.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 0.14 109.347 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.601 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 50.5 m-85 -138.76 167.24 22.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.918 0.39 . . . . 0.21 110.961 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.602 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.9 m80 -98.41 145.71 26.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.605 -0.887 . . . . 0.18 108.605 168.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 83.1 mt -53.65 -52.13 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.943 0.349 . . . . 0.27 111.943 -173.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.08 -23.24 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 0.2 112.081 -176.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 76.4 m -75.83 -23.5 55.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.21 110.861 -176.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.0 157.1 34.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.153 -0.476 . . . . 0.2 111.45 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 30.8 t -139.47 113.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.009 -0.542 . . . . 0.93 109.636 173.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.5 Cg_exo -69.46 141.78 66.51 Favored 'Cis proline' 0 C--N 1.345 0.349 0 C-N-CA 123.734 -1.361 . . . . 0.61 112.165 -1.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 13.3 Cg_exo -67.27 143.65 65.24 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.759 2.306 . . . . 0.42 112.487 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 67.7 mt -89.33 135.89 33.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 1.03 110.623 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.87 -21.79 17.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.14 0.495 . . . . 3.15 110.16 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.49 161.16 38.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.464 -0.789 . . . . 1.57 110.419 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 320' ' ' LEU . 23.9 mm -86.91 118.35 69.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 0.28 111.167 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.659 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 16.3 Cg_endo -66.14 138.68 52.71 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.665 2.243 . . . . 0.29 112.312 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.3 m -98.27 47.27 1.0 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.464 0.649 . . . . 1.66 110.635 -174.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -165.19 -170.2 29.82 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.489 -0.778 . . . . 0.46 111.3 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.2 p -66.82 109.85 3.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.215 0.531 . . . . 0.58 110.917 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.433 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 75.1 t90 -94.91 146.85 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.024 -0.535 . . . . 0.29 110.363 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.7 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 52.4 mtt-85 -124.9 137.36 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 1.99 111.107 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . 0.485 ' HG ' ' HG ' ' A' ' 314' ' ' CYS . 17.3 p -80.86 178.51 8.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.63 109.962 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.6 p -55.71 -46.72 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 1.47 111.16 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.4 m -56.37 -45.47 80.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 1.67 111.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . . . . . . . . . 84.1 m -66.3 -40.06 89.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.33 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 94.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.85 110.709 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.659 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.773 -0.454 . . . . 0.29 109.773 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.745 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 43.8 ttm-85 -78.93 82.6 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.69 110.483 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.1 p -81.97 137.47 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.928 0.344 . . . . 0.95 111.928 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.2 mtpp . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.983 -0.553 . . . . 0.75 110.699 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.74 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 1.1 p30 . . . . . 0 N--CA 1.443 -0.799 0 CA-C-O 121.147 0.499 . . . . 1.25 109.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.95 156.77 27.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.557 -0.747 . . . . 1.11 109.764 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.9 11.39 33.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.671 0.272 . . . . 0.49 110.78 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.97 143.43 40.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.434 0.635 . . . . 2.53 110.514 174.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.726 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.4 t -70.53 138.29 50.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.95 -1.023 . . . . 0.21 110.98 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.402 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.24 -11.21 38.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.65 -0.705 . . . . 0.31 111.256 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 322' ' ' CYS . 88.1 t -88.85 -66.97 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.31 111.612 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.0 p -108.67 7.76 26.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.575 0.583 . . . . 0.34 112.575 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 28.0 mmt180 57.09 33.24 23.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.312 0.486 . . . . 2.38 112.312 176.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.47 174.19 6.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.654 -0.498 . . . . 1.54 109.654 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.05 -172.01 16.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.022 -0.609 . . . . 0.7 111.688 -176.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.65 -132.14 8.09 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.717 -0.754 . . . . 0.4 111.734 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.14 79.03 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.305 0.574 . . . . 1.91 110.246 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 59.6 mt -91.51 151.85 20.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.165 -0.925 . . . . 0.24 111.313 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.441 HG13 ' HB1' ' B' ' 1' ' ' ALA . 9.8 tt -132.53 106.09 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.21 109.064 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.929 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.0 t -89.81 146.29 24.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.355 -0.839 . . . . 1.36 111.495 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.5 t -74.65 154.2 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.117 -0.947 . . . . 0.2 111.16 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.459 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.9 t70 -60.24 -69.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.66 111.279 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.25 -4.38 89.66 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.023 -0.608 . . . . 0.37 113.884 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 72.5 m -128.38 127.41 23.67 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 117.132 0.466 . . . . 1.34 110.633 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.36 -11.32 29.7 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.088 2.525 . . . . 0.52 113.798 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -59.14 129.01 40.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.05 0.452 . . . . 1.3 111.199 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.726 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.48 145.94 39.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.444 -0.798 . . . . 0.14 108.912 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.474 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 57.8 m-85 -127.36 163.45 23.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.777 0.322 . . . . 0.21 111.407 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.558 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 41.1 m80 -90.07 145.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.188 -0.671 . . . . 0.18 109.188 170.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.27 -53.99 50.68 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.169 -0.212 . . . . 0.27 111.394 -173.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -69.86 -24.21 63.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.158 -0.473 . . . . 0.2 111.886 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 71.5 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.449 -0.341 . . . . 0.21 111.044 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.6 mt -73.09 159.18 33.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.2 111.962 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 30.7 t -140.0 114.41 7.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.508 -0.769 . . . . 0.93 109.712 174.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.512 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 12.5 Cg_exo -71.86 143.67 77.64 Favored 'Cis proline' 0 C--N 1.344 0.318 0 C-N-CA 123.728 -1.364 . . . . 0.61 111.913 -2.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.1 Cg_exo -72.21 123.76 9.45 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.662 2.241 . . . . 0.42 112.079 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.22 131.47 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 1.03 110.123 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -85.19 -25.79 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.204 0.526 . . . . 3.15 109.918 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.48 159.28 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.474 -0.785 . . . . 1.57 110.027 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 30.0 mm -77.17 116.71 59.76 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.28 111.538 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -68.7 138.0 40.21 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.926 2.417 . . . . 0.29 113.583 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.9 t -94.89 109.86 21.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.181 -0.918 . . . . 1.66 109.158 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 142.03 -170.88 24.76 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.856 -0.687 . . . . 0.46 111.583 -174.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.6 p -81.12 102.2 10.11 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.16 0.505 . . . . 0.58 111.012 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.582 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 90.5 t90 -85.5 142.37 29.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.963 -0.562 . . . . 0.29 109.612 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.574 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 20.4 mtm180 -125.74 137.85 53.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.843 -0.617 . . . . 1.99 111.121 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.5 172.97 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.365 -0.38 . . . . 0.63 110.215 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.9 m -54.53 -43.73 72.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.939 0.348 . . . . 1.47 111.939 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 37.6 t -56.36 -48.25 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.502 -0.317 . . . . 1.67 111.242 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 91.3 m -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.57 111.02 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 336' ' ' ARG . 84.6 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.85 110.962 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.441 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.877 -0.416 . . . . 0.29 109.877 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.929 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 28.1 ttm-85 -87.27 73.54 9.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.69 110.251 -173.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.63 144.12 49.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.945 -0.571 . . . . 0.95 111.585 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.74 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 49.9 mtpt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.041 -0.527 . . . . 0.75 110.134 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.653 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.19 0 N-CA-C 109.959 -0.385 . . . . 1.25 109.959 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.508 ' OE2' ' HG2' ' A' ' 316' ' ' ARG . 21.1 mt-10 -71.03 151.9 44.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.011 -0.54 . . . . 1.11 111.052 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.9 8.02 44.44 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.113 0.482 . . . . 0.49 109.985 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.48 ' HB2' ' HD3' ' A' ' 303' ' ' ARG . 1.1 mp0 -135.81 140.64 44.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.83 -0.804 . . . . 2.53 108.83 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.574 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 43.1 t -63.96 137.07 57.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.21 110.463 178.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.652 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -69.12 -13.04 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.092 0.473 . . . . 0.31 111.244 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -76.58 -59.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.722 -0.672 . . . . 0.31 111.231 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 11.2 p -127.12 3.81 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.81 0.67 . . . . 0.34 112.81 -173.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.48 ' HD3' ' HB2' ' A' ' 298' ' ' GLU . 24.8 mmt180 57.79 39.74 26.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.54 0.57 . . . . 2.38 112.54 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.44 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 4.7 t0 -107.18 178.18 4.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.162 -1.051 . . . . 1.54 108.162 171.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.57 -177.01 14.94 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.659 -0.781 . . . . 0.7 112.105 -175.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.88 -128.76 6.8 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.939 -0.648 . . . . 0.4 112.068 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.54 84.29 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 1.91 110.607 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.547 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -91.99 138.48 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.559 . . . . 0.24 112.069 -176.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.3 tt -120.95 119.96 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.091 -0.958 . . . . 0.21 108.783 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.6 m -108.83 147.28 32.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.101 0.477 . . . . 1.36 110.804 -171.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.574 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.5 t -74.54 153.13 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.435 -0.802 . . . . 0.2 110.596 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.617 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 35.4 t70 -60.87 -68.11 0.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.732 0.301 . . . . 0.66 111.492 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.72 83.42 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.903 0.721 . . . . 0.37 114.903 -170.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.5 p -136.2 133.96 19.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 117.912 0.856 . . . . 1.34 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.81 -11.62 27.67 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.571 2.847 . . . . 0.52 113.989 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.508 ' HG2' ' OE2' ' A' ' 296' ' ' GLU . 54.3 mtt180 -60.71 128.35 36.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.19 0.519 . . . . 1.3 111.534 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.26 155.75 23.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.318 -0.856 . . . . 0.14 109.289 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.652 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 57.9 m-85 -137.78 168.29 19.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.008 0.433 . . . . 0.21 111.336 -174.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.8 m80 -96.13 146.29 24.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.554 -0.748 . . . . 0.18 109.116 169.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.545 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.4 mt -56.14 -53.29 58.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.54 0.209 . . . . 0.27 111.373 -174.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.31 -23.16 59.03 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.464 0.542 . . . . 0.2 112.464 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.601 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -74.8 -20.54 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.018 0.437 . . . . 0.21 110.524 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.4 154.09 38.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 0.2 111.499 175.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 24.6 t -140.54 115.07 7.44 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.392 -0.822 . . . . 0.93 109.081 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.3 137.79 47.04 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.513 -1.453 . . . . 0.61 112.374 -0.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -70.83 146.77 54.46 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.028 2.486 . . . . 0.42 112.761 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -94.43 131.7 39.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.642 -0.708 . . . . 1.03 110.328 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.747 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 7.7 ptp180 -83.51 -28.09 28.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.161 0.505 . . . . 3.15 110.403 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . 0.747 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 7.4 pt-20 -149.52 158.95 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.57 110.048 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 31.7 mm -72.36 125.18 91.47 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 0.28 112.26 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.82 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 18.8 Cg_endo -64.71 146.93 89.54 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.329 2.686 . . . . 0.29 112.35 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.8 p -95.01 34.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 1.66 111.748 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.2 30.62 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.604 -0.807 . . . . 0.46 111.813 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.1 p -65.09 108.15 1.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 0.58 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.445 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.5 t90 -86.34 145.16 27.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.467 -0.788 . . . . 0.29 110.084 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.574 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.2 mtt180 -118.84 134.35 55.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 1.99 110.792 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.77 173.28 9.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.533 -0.303 . . . . 0.63 110.318 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 13.8 m -53.53 -44.53 69.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.836 0.35 . . . . 1.47 111.06 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 14.8 m -56.78 -43.37 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 1.67 111.206 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 92.0 m -63.79 -42.31 97.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.95 0.405 . . . . 0.57 111.137 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.85 110.8 -177.538 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.82 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.188 -0.301 . . . . 0.29 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 23.4 ttm-85 -75.31 139.68 42.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.529 -0.915 . . . . 0.69 108.529 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.77 143.36 41.08 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.621 -0.432 . . . . 0.95 111.371 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.75 110.841 -178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.781 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.61 -0.515 . . . . 1.25 109.61 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.14 132.41 45.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.933 -0.576 . . . . 1.11 109.519 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . 0.491 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 21.5 m-20 -90.31 6.08 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.49 111.34 -169.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.6 131.68 31.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.217 0.532 . . . . 2.53 110.017 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.7 t -59.79 137.92 57.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.088 -0.96 . . . . 0.21 111.67 -173.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.536 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -67.53 -12.71 60.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.754 -0.657 . . . . 0.31 111.602 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 322' ' ' CYS . 88.4 t -83.25 -66.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.31 111.272 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.4 p -114.66 6.24 15.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.439 0.533 . . . . 0.34 112.439 -173.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 59.6 30.59 20.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.304 0.573 . . . . 2.38 111.848 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.56 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 48.0 t0 -105.95 159.92 15.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.42 -0.809 . . . . 1.54 109.531 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -113.14 -166.04 16.43 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.034 -0.603 . . . . 0.7 112.032 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 104.81 -112.19 3.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.452 -0.88 . . . . 0.4 112.553 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.67 77.73 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 1.91 110.534 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.98 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -99.15 150.38 22.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.365 -0.834 . . . . 0.24 111.947 -175.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.66 111.57 19.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.494 -0.776 . . . . 0.21 109.393 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.987 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 43.5 t -94.68 147.94 22.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.727 -0.67 . . . . 1.36 111.533 -174.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.602 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.6 t -74.23 147.91 42.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.03 -0.986 . . . . 0.2 110.185 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.45 -67.27 0.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.837 -0.345 . . . . 0.66 111.238 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.13 88.56 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.871 -0.68 . . . . 0.37 113.65 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 77.1 m -130.43 126.71 22.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 117.337 0.569 . . . . 1.34 110.86 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -57.93 -20.69 45.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.773 2.982 . . . . 0.52 114.976 -173.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 68.4 mtt-85 -59.17 136.73 58.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.397 0.518 . . . . 1.3 112.397 -177.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -118.34 151.99 36.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.368 -0.833 . . . . 0.14 109.164 173.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.507 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 53.2 m-85 -134.51 169.43 17.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.499 -0.318 . . . . 0.21 110.833 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -95.89 146.18 24.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.128 -0.693 . . . . 0.18 109.128 170.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.646 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.8 mt -56.19 -54.14 48.74 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.17 0.293 . . . . 0.27 111.566 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -73.39 -20.22 60.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.069 -0.514 . . . . 0.2 111.931 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 72.0 m -77.19 -23.35 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.21 111.115 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.21 155.01 41.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.2 111.155 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 2.9 m -138.72 109.13 7.84 Favored Pre-proline 0 N--CA 1.434 -1.274 0 CA-C-N 115.977 -0.556 . . . . 0.93 110.17 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.0 Cg_exo -69.96 144.59 77.52 Favored 'Cis proline' 0 C--N 1.345 0.381 0 C-N-CA 124.1 -1.208 . . . . 0.61 112.336 -1.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 7.0 Cg_exo -70.52 141.33 41.87 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.816 2.344 . . . . 0.42 112.331 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.3 mm? -91.59 124.26 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.239 -0.652 . . . . 1.03 109.239 175.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -86.29 -21.1 27.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.413 0.625 . . . . 3.15 110.165 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -137.11 152.22 49.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.139 -0.937 . . . . 1.57 110.171 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 32.6 mm -81.89 117.1 67.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.187 0.518 . . . . 0.28 111.579 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 16.7 Cg_endo -67.7 138.05 44.01 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.857 2.371 . . . . 0.29 112.964 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 23.2 m -96.37 43.93 1.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.835 0.826 . . . . 1.66 110.33 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -155.6 -172.26 22.98 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.132 -0.94 . . . . 0.46 111.296 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 24.5 p -69.5 105.37 2.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.113 0.482 . . . . 0.58 110.604 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.0 t90 -88.8 143.56 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.29 110.19 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 91.1 mtt180 -114.11 138.03 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.99 111.456 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 29.4 p -86.95 -175.64 5.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.422 -0.354 . . . . 0.63 110.05 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 1.5 p -55.97 -46.86 78.51 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.9 0.704 . . . . 1.47 112.9 -176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.0 t -56.95 -42.33 79.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.72 0.295 . . . . 1.67 111.211 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.0 m -65.08 -42.34 94.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.57 111.006 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.2 mt . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 0.85 111.118 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.989 -0.374 . . . . 0.29 109.989 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.987 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 24.7 ttm-85 -90.74 73.69 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.69 110.118 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 134.81 47.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.035 -0.529 . . . . 0.95 111.239 -177.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.98 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.2 mtpp . . . . . 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.75 110.38 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.721 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 2.6 p30 . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 109.637 -0.505 . . . . 1.25 109.637 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . 0.535 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 58.7 mt-10 -61.84 150.64 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.912 0.387 . . . . 1.11 110.292 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -108.06 4.98 25.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.785 -0.82 . . . . 0.49 108.785 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.65 124.27 18.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.545 -1.207 . . . . 2.53 108.762 177.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.631 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 22.7 t -53.38 137.89 34.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.664 -0.698 . . . . 0.21 111.415 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -62.69 -16.87 59.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.31 111.543 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.3 t -81.37 -60.86 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.946 -0.57 . . . . 0.31 111.746 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 13.3 p -120.97 3.74 10.49 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.502 0.556 . . . . 0.34 112.502 -173.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 36.1 mmt180 58.1 34.06 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.132 0.573 . . . . 2.38 112.337 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.542 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 37.2 t0 -105.32 164.69 11.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 1.54 109.255 174.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -110.79 -164.5 18.71 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.062 -0.59 . . . . 0.7 111.933 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 113.94 -131.54 9.99 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.846 -0.693 . . . . 0.4 111.891 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.62 83.44 4.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.089 0.471 . . . . 1.91 110.342 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.543 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 91.9 mt -89.8 146.79 24.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.327 -0.851 . . . . 0.24 111.811 -177.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.534 HG13 ' HB1' ' B' ' 1' ' ' ALA . 4.6 tt -123.58 107.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.125 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.812 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 41.8 t -98.68 146.63 25.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.271 0.558 . . . . 1.36 111.342 -174.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 38.8 t -74.65 152.14 39.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.125 -0.943 . . . . 0.2 111.352 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.556 ' HA ' HH21 ' B' ' 2' ' ' ARG . 20.3 t70 -60.68 -68.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.72 0.295 . . . . 0.66 111.549 175.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -82.51 -5.07 89.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.937 -0.649 . . . . 0.37 113.66 -172.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 90.9 m -129.22 128.38 23.27 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.985 0.421 . . . . 1.34 110.781 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -57.4 -21.27 44.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 124.041 3.16 . . . . 0.52 113.931 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.535 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 90.7 mtt180 -60.29 127.32 31.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 1.3 112.234 -175.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -111.36 148.66 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.902 -1.044 . . . . 0.14 108.513 175.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.582 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 40.4 m-85 -131.39 171.83 12.9 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.973 0.416 . . . . 0.21 111.17 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 37.0 m80 -99.88 146.28 26.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.705 -0.85 . . . . 0.18 108.705 169.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.6 mt -55.37 -52.45 63.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.852 0.316 . . . . 0.27 111.852 -173.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.12 -23.29 61.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.2 111.944 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.575 ' HB3' HG11 ' A' ' 301' ' ' VAL . 83.3 m -75.19 -25.26 58.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.409 -0.359 . . . . 0.21 111.195 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.74 159.94 26.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.957 0.408 . . . . 0.2 111.707 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 33.3 t -139.26 112.27 7.94 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.93 109.726 174.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.505 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 8.0 Cg_exo -74.06 140.69 68.7 Favored 'Cis proline' 0 C--O 1.236 0.388 0 C-N-CA 123.901 -1.291 . . . . 0.61 112.07 -0.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.0 Cg_exo -68.31 141.19 50.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.16 2.573 . . . . 0.42 112.696 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.559 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 79.7 mt -90.81 140.28 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.502 -0.772 . . . . 1.03 110.598 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -92.82 -22.82 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 3.15 109.819 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -140.86 165.27 27.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.304 -0.862 . . . . 1.57 110.39 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.482 HD13 HD21 ' A' ' 320' ' ' LEU . 25.1 mm -84.35 125.81 71.02 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.28 111.833 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.669 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.2 Cg_endo -61.98 138.84 75.81 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.081 2.52 . . . . 0.29 112.733 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 26.2 m -93.26 46.97 1.23 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.689 . . . . 1.66 111.278 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.82 37.57 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.17 -0.772 . . . . 0.46 111.17 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.3 p -66.73 120.71 13.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 0.58 110.665 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -96.06 148.82 22.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.119 -0.491 . . . . 0.29 110.352 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.582 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.1 mtt180 -124.39 133.63 53.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 1.99 110.75 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.4 p -80.14 179.48 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.52 . . . . 0.63 110.747 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.5 p -53.46 -47.14 70.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 1.47 111.849 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 27.5 t -56.42 -42.92 78.83 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.141 -0.481 . . . . 1.67 111.157 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.9 m -61.87 -42.22 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.014 0.435 . . . . 0.57 111.276 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.85 110.783 -176.752 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.669 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.824 -0.435 . . . . 0.29 109.824 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 40.9 ttm-85 -75.29 77.77 2.39 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.098 0.475 . . . . 0.69 110.205 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 308' ' ' LEU . 8.6 p -81.43 140.53 34.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.95 111.392 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.656 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 52.5 mtpt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.75 111.139 -176.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.747 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.158 0.504 . . . . 1.25 110.13 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.68 162.4 23.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.668 . . . . 1.11 110.008 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -104.61 16.37 26.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.49 111.383 -172.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.5 150.64 31.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.294 0.568 . . . . 2.53 110.396 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 53.6 t -73.08 137.29 45.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.869 -1.06 . . . . 0.21 111.305 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.431 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.67 -15.63 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.668 -0.696 . . . . 0.31 111.225 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 322' ' ' CYS . 73.0 t -82.97 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.683 -0.69 . . . . 0.31 111.736 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 15.4 p -109.62 -0.06 18.84 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.203 0.446 . . . . 0.34 112.203 -172.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 63.39 21.9 13.01 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.663 0.385 . . . . 2.38 111.887 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -102.91 171.56 7.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.121 -0.696 . . . . 1.54 109.121 177.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.55 -167.68 14.36 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.098 -0.573 . . . . 0.7 112.067 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 117.32 -141.07 16.29 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.851 -0.69 . . . . 0.4 111.797 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.96 87.4 0.37 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.392 0.615 . . . . 1.91 110.372 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 62.5 mt -91.84 147.47 22.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.349 -0.841 . . . . 0.24 111.549 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.457 HG13 ' HB1' ' B' ' 1' ' ' ALA . 7.7 tt -120.84 107.19 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.399 -0.963 . . . . 0.21 108.399 171.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.759 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.8 t -98.71 147.9 24.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.417 -0.81 . . . . 1.36 110.758 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.8 t -73.29 150.04 42.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.2 111.102 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.404 ' HA ' HH21 ' B' ' 2' ' ' ARG . 33.9 t70 -59.6 -67.45 0.38 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.378 -0.374 . . . . 0.66 111.154 177.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -86.67 6.51 82.45 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.734 -0.746 . . . . 0.37 113.822 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 85.2 m -135.89 128.47 17.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.085 0.442 . . . . 1.34 110.348 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.48 -11.88 33.73 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.064 2.509 . . . . 0.52 113.916 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -62.51 135.77 57.57 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.026 0.441 . . . . 1.3 111.427 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -114.61 150.11 35.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.14 109.15 175.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.48 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.1 m-85 -133.16 168.78 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.724 0.297 . . . . 0.21 110.908 -176.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.629 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 36.5 m80 -97.24 145.27 26.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.258 -0.645 . . . . 0.18 109.258 170.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.662 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.0 mt -52.81 -51.77 59.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.05 0.389 . . . . 0.27 112.05 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.12 -18.68 55.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.2 111.813 -174.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 77.5 m -77.01 -24.88 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.374 . . . . 0.21 110.727 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.42 156.25 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.995 -0.548 . . . . 0.2 111.4 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.8 t -140.49 117.07 7.84 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.33 -0.618 . . . . 0.93 109.33 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.57 134.46 31.12 Favored 'Cis proline' 0 C--N 1.343 0.256 0 C-N-CA 123.481 -1.466 . . . . 0.61 112.051 -0.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.42 141.03 45.45 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.807 2.338 . . . . 0.42 112.539 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -89.43 126.43 35.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.755 -0.657 . . . . 1.03 109.834 178.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.81 -25.13 38.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.607 . . . . 3.15 109.959 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.36 162.85 34.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.063 -0.971 . . . . 1.57 109.891 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.412 ' CD1' HD21 ' A' ' 320' ' ' LEU . 43.2 mm -81.48 123.79 80.71 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.797 -0.638 . . . . 0.28 111.335 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.16 133.63 36.15 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.46 2.107 . . . . 0.29 112.055 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.1 m -87.67 53.19 2.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.251 0.548 . . . . 1.66 110.986 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.19 -168.38 36.29 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.472 -0.651 . . . . 0.46 111.472 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.4 p -65.54 117.51 8.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 0.58 111.143 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.519 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.3 t90 -96.83 145.77 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.448 . . . . 0.29 109.95 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.539 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.9 mtt180 -123.88 136.49 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.903 -0.59 . . . . 1.99 110.914 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.6 p -78.51 176.45 9.4 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.236 -0.438 . . . . 0.63 110.595 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -46.93 65.71 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.224 0.327 . . . . 1.47 111.573 -177.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.9 t -57.52 -43.2 84.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.089 -0.505 . . . . 1.67 111.003 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.4 m -65.62 -41.88 92.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.57 111.314 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 86.7 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 0.85 110.633 -178.555 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.457 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.837 -0.431 . . . . 0.29 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.759 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.0 ttm-85 -73.55 83.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.69 110.307 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.38 140.26 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.098 0.475 . . . . 0.95 112.055 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.747 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 50.5 mtpt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 0.75 110.511 -177.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.694 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.516 -0.343 0 N-CA-C 109.263 -0.643 . . . . 1.25 109.263 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.37 140.51 52.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.99 -0.55 . . . . 1.11 110.352 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -91.99 5.45 50.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.49 110.61 -173.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.68 133.36 36.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 2.53 109.837 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 40.4 t -63.05 137.71 58.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.791 -1.095 . . . . 0.21 112.084 -172.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.564 ' HB1' HH11 ' A' ' 316' ' ' ARG . . . -65.37 -16.83 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.42 -0.809 . . . . 0.31 111.403 178.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 322' ' ' CYS . 97.6 t -81.62 -70.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.876 -0.602 . . . . 0.31 111.33 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.91 -1.61 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.328 0.492 . . . . 0.34 112.328 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.49 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 26.3 mmt180 62.32 26.89 16.09 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.41 0.624 . . . . 2.38 112.18 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -104.6 176.54 5.12 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.337 -0.847 . . . . 1.54 109.174 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.76 -173.06 16.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.131 -1.033 . . . . 0.7 111.599 -176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 120.66 -125.53 6.27 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.767 -0.73 . . . . 0.4 113.081 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -78.64 85.21 4.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 1.91 110.196 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -99.23 140.89 32.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.518 -0.764 . . . . 0.24 111.76 -174.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 11.2 tt -123.98 123.52 66.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.231 -0.895 . . . . 0.21 108.698 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 50.0 t -112.08 144.38 41.53 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.99 -0.55 . . . . 1.36 110.393 -170.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.762 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 21.1 t -74.43 150.75 39.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.785 . . . . 0.2 111.027 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.578 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 29.3 t70 -60.13 -67.01 0.43 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.525 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.44 -11.25 71.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.004 0.762 . . . . 0.37 115.004 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 12.9 p -134.48 133.85 21.91 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 118.517 1.158 . . . . 1.34 110.782 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.56 -10.44 21.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.715 2.943 . . . . 0.52 113.978 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.564 HH11 ' HB1' ' A' ' 300' ' ' ALA . 49.8 mtt180 -62.43 138.19 58.41 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.937 0.398 . . . . 1.3 111.372 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -121.6 149.66 42.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.105 -0.702 . . . . 0.14 109.105 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.636 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 59.1 m-85 -132.36 167.93 19.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.872 0.368 . . . . 0.21 110.849 -173.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.594 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 51.4 m80 -96.87 146.34 25.02 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.601 -0.889 . . . . 0.18 108.601 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 81.8 mt -54.4 -51.4 64.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.765 0.257 . . . . 0.27 111.189 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.95 -18.69 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.2 112.012 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.617 ' HB3' HG11 ' A' ' 301' ' ' VAL . 88.5 m -77.57 -23.47 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.75 0.31 . . . . 0.21 111.093 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.9 153.02 44.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.2 111.087 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 2.9 p -139.09 111.06 7.87 Favored Pre-proline 0 N--CA 1.434 -1.258 0 CA-C-N 115.628 -0.714 . . . . 0.93 110.071 175.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 324' ' ' SER . 12.2 Cg_exo -71.57 139.55 59.82 Favored 'Cis proline' 0 C--O 1.234 0.305 0 C-N-CA 123.668 -1.388 . . . . 0.61 112.479 -0.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -67.84 147.26 74.53 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.072 2.514 . . . . 0.42 112.897 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 93.5 mt -92.73 130.93 38.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.589 -0.732 . . . . 1.03 110.324 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -87.71 -22.17 24.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.213 0.53 . . . . 3.15 110.137 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.76 162.39 37.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.617 -0.72 . . . . 1.57 110.062 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 45.6 mm -79.85 117.94 69.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.008 -0.542 . . . . 0.28 111.083 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 335' ' ' TRP . 53.4 Cg_exo -49.36 141.17 25.47 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.869 3.046 . . . . 0.29 113.093 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 16.2 m -94.72 32.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.66 111.129 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -170.46 -164.24 25.85 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.827 -0.701 . . . . 0.46 111.877 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.6 p -64.72 110.2 2.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.58 111.398 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.441 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -97.05 145.46 25.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.29 110.724 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.762 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.8 mtt180 -123.39 141.17 52.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 1.99 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.63 173.11 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.63 109.271 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 8.0 m -54.45 -45.95 73.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 1.47 110.953 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 21.8 t -60.6 -43.82 96.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.216 -0.447 . . . . 1.67 110.936 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.5 m -65.31 -40.53 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.447 -0.342 . . . . 0.57 111.609 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.85 109.817 176.144 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.099 -0.334 . . . . 0.29 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 31.7 ttm-85 -67.38 138.72 56.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 107.636 -1.246 . . . . 0.69 107.636 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.63 148.73 49.09 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.014 -0.674 . . . . 0.95 110.999 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.644 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.2 mtpp . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 0.75 109.771 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.738 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER . . . . . 0 N--CA 1.442 -0.87 0 N-CA-C 108.965 -0.754 . . . . 1.25 108.965 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -87.22 138.15 31.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.527 -0.761 . . . . 1.11 110.839 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.75 35.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.899 -0.591 . . . . 0.49 111.704 -172.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -155.95 143.15 19.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.585 0.707 . . . . 2.53 110.578 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.9 t -72.29 136.81 46.36 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.713 -1.13 . . . . 0.21 110.754 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.465 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -64.57 -15.46 61.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.31 111.464 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.547 HG11 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -81.95 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.31 111.496 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.4 p -110.43 6.05 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.28 0.474 . . . . 0.34 112.28 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 303' ' ' ARG . 28.9 mmt180 58.36 31.18 20.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.3 0.572 . . . . 2.38 111.872 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.536 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 55.8 t0 -111.65 159.68 17.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.471 -0.786 . . . . 1.54 109.195 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -111.08 -160.14 16.52 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.996 -0.621 . . . . 0.7 111.986 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.51 -123.91 7.02 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.419 -0.896 . . . . 0.4 112.222 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.43 79.22 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.576 0.703 . . . . 1.91 110.523 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.649 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 64.7 mt -90.41 153.0 20.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.24 112.281 -175.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . 0.428 HG13 ' HB1' ' B' ' 1' ' ' ALA . 5.7 tt -127.39 113.18 30.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.734 -1.121 . . . . 0.21 108.57 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.691 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 49.6 t -102.99 146.39 28.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.078 -0.51 . . . . 1.36 110.854 -173.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.743 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.2 t -75.55 152.3 37.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.451 -0.795 . . . . 0.2 111.43 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.632 ' HA ' HH21 ' B' ' 2' ' ' ARG . 34.5 t70 -60.71 -66.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.15 -0.477 . . . . 0.66 111.1 173.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.0 -16.54 76.66 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 114.949 0.74 . . . . 0.37 114.949 -171.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 30.1 p -134.39 133.75 21.91 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 117.978 0.889 . . . . 1.34 111.12 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 36.8 Cg_exo -62.25 -6.74 8.8 Favored 'Trans proline' 0 N--CA 1.477 0.532 0 C-N-CA 124.087 3.192 . . . . 0.52 114.308 -174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 74.0 mtt180 -63.84 130.02 42.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.003 0.43 . . . . 1.3 111.13 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -109.93 158.34 18.32 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.639 -0.874 . . . . 0.14 108.639 172.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.524 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 35.1 m-85 -139.45 171.48 14.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.856 0.36 . . . . 0.21 110.914 -176.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.536 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 45.2 m80 -99.15 145.88 26.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.664 -0.865 . . . . 0.18 108.664 168.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 64.2 mt -54.56 -53.34 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.81 0.338 . . . . 0.27 111.832 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.27 58.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.2 111.742 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.547 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.3 m -77.77 -23.55 49.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.356 -0.383 . . . . 0.21 111.465 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . 0.613 HD13 HD23 ' A' ' 327' ' ' LEU . 23.8 mt -63.36 159.42 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.487 . . . . 0.2 112.076 177.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 32.0 t -139.33 111.87 7.83 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 115.767 -0.652 . . . . 0.93 109.443 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.4 Cg_exo -69.31 143.99 74.48 Favored 'Cis proline' 0 C--N 1.345 0.346 0 C-N-CA 123.693 -1.378 . . . . 0.61 112.11 -2.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.0 Cg_exo -71.03 135.53 27.65 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.004 2.47 . . . . 0.42 112.235 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.613 HD23 HD13 ' A' ' 323' ' ' LEU . 4.4 mm? -89.07 126.38 35.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.087 -0.506 . . . . 1.03 110.034 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -90.15 -19.61 24.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.365 0.602 . . . . 3.15 110.429 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.74 149.17 43.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 1.57 110.041 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.405 HD13 HD21 ' A' ' 320' ' ' LEU . 38.5 mm -76.33 120.16 80.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.464 . . . . 0.28 111.168 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -58.32 137.0 78.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.376 2.718 . . . . 0.29 112.44 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 49.1 m -95.55 47.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.763 -0.653 . . . . 1.66 110.535 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.78 -168.18 35.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.752 -0.658 . . . . 0.46 111.806 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.86 116.84 7.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.442 . . . . 0.58 111.15 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -99.95 147.14 25.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.255 -0.43 . . . . 0.29 111.109 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.743 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 63.6 mtt180 -126.0 136.62 53.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 1.99 110.45 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -69.59 172.2 7.74 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.551 -0.295 . . . . 0.63 110.87 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.8 m -55.06 -42.52 72.84 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.901 0.381 . . . . 1.47 110.885 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.2 m -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 1.67 111.177 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 73.5 m -66.51 -42.6 87.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.264 -0.426 . . . . 0.57 110.938 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.85 110.802 -178.245 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.706 -0.479 . . . . 0.29 109.706 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.691 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 43.8 ttm-85 -77.79 76.18 4.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 0.69 110.207 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -77.35 146.76 36.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.188 0.518 . . . . 0.95 111.693 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.738 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.7 mtpp . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.75 110.076 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.764 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.825 -0.435 . . . . 1.25 109.825 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.19 137.7 48.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.192 -0.458 . . . . 1.11 110.24 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.6 m-20 -89.73 13.24 14.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.272 0.558 . . . . 0.49 109.657 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . 0.426 ' HB3' ' C ' ' A' ' 303' ' ' ARG . 6.6 mp0 -132.43 145.61 51.33 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.284 -0.871 . . . . 2.53 108.723 174.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.2 t -70.96 138.96 50.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.468 -0.787 . . . . 0.21 110.781 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -62.71 -22.22 66.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.424 . . . . 0.31 111.3 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.541 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -75.74 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.31 111.538 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -118.17 2.56 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.804 0.668 . . . . 0.34 112.804 -172.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . 0.426 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 26.1 mmm180 57.14 29.77 17.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.155 0.582 . . . . 2.38 111.27 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.606 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 6.4 t0 -99.19 165.71 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.457 -0.942 . . . . 1.54 108.457 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.31 -170.41 15.71 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.724 -0.751 . . . . 0.7 112.252 -175.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 112.71 -119.36 4.9 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.463 -0.875 . . . . 0.4 112.596 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.81 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.76 0.791 . . . . 1.91 110.115 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.898 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 86.2 mt -106.23 150.95 25.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.519 -1.219 . . . . 0.24 111.703 -172.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.0 tt -131.88 114.51 24.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.306 -0.861 . . . . 0.21 108.811 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.775 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.7 t -103.12 147.37 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.964 -0.562 . . . . 1.36 110.972 -172.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.0 t -74.43 152.15 39.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.423 -0.808 . . . . 0.2 111.014 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.422 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.3 t70 -60.2 -68.22 0.31 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.431 -0.349 . . . . 0.66 111.221 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.24 -2.85 90.39 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.059 -0.591 . . . . 0.37 113.994 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 75.9 m -129.97 129.89 23.06 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 117.207 0.504 . . . . 1.34 110.447 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.92 -9.04 23.44 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 123.228 2.619 . . . . 0.52 113.643 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -62.41 131.63 49.88 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.896 0.379 . . . . 1.3 111.183 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.66 153.96 26.84 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.814 -0.81 . . . . 0.14 108.814 172.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.568 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 47.4 m-85 -135.78 163.44 30.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.75 0.31 . . . . 0.21 111.131 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.606 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 40.3 m80 -93.51 147.05 23.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.926 -0.768 . . . . 0.18 108.926 169.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.2 mt -55.95 -54.37 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.679 0.276 . . . . 0.27 111.351 -173.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.42 -23.27 61.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.2 112.178 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 81.6 m -76.0 -22.39 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.21 110.861 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . 0.504 HD13 HD23 ' A' ' 327' ' ' LEU . 20.1 mt -71.49 156.9 38.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.311 0.577 . . . . 0.2 111.59 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 18.7 t -140.39 110.33 6.92 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 108.572 -0.899 . . . . 0.93 108.572 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.4 Cg_endo -74.26 144.4 80.86 Favored 'Cis proline' 0 C--O 1.233 0.231 0 C-N-CA 123.251 -1.562 . . . . 0.61 112.626 2.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.9 Cg_exo -71.94 127.73 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.82 2.347 . . . . 0.42 112.018 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.504 HD23 HD13 ' A' ' 323' ' ' LEU . 4.0 mm? -79.02 124.35 28.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.157 -0.474 . . . . 1.03 110.243 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . 0.6 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 15.2 ptm180 -74.86 -25.52 59.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 3.15 110.756 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . 0.6 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 5.1 pt-20 -157.15 160.47 38.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.545 -0.752 . . . . 1.57 110.054 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 28.1 mm -69.44 125.68 92.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 112.714 0.635 . . . . 0.28 112.714 -172.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . 0.777 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 19.6 Cg_endo -64.46 142.65 79.33 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.486 2.791 . . . . 0.29 112.178 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 14.8 m -96.07 36.63 1.3 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.907 -0.588 . . . . 1.66 111.453 -172.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -164.43 -165.85 22.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.655 -0.783 . . . . 0.46 111.833 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 2.0 p -65.19 109.8 2.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.45 . . . . 0.58 110.913 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.479 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.6 t90 -92.13 141.21 28.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.29 110.028 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.523 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 69.6 mtt85 -119.17 132.9 56.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.739 -0.664 . . . . 1.99 111.025 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.3 -179.3 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.381 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.7 p -53.2 -46.74 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 1.47 111.9 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 4.8 m -54.22 -47.85 71.7 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.126 -0.488 . . . . 1.67 111.392 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 71.6 m -66.23 -42.54 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.57 111.115 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.176 0.512 . . . . 0.85 110.602 -179.044 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.777 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.999 -0.371 . . . . 0.29 109.999 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.775 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -80.92 69.2 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.401 -0.592 . . . . 0.69 109.401 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.45 141.27 48.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.57 -0.741 . . . . 0.95 111.36 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.898 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.0 mtpp . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.75 109.827 -179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 295' ' ' ASN . . . . . 0.804 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 109.617 -0.512 . . . . 1.25 109.617 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.12 141.99 31.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.392 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 297' ' ' ASP . . . . . 0.582 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 7.2 m-20 -91.02 35.36 0.91 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.072 0.463 . . . . 0.49 111.088 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.34 144.72 29.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.46 0.648 . . . . 2.53 110.29 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 299' ' ' CYS . . . . . 0.715 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.0 t -77.91 137.29 38.27 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.807 -1.088 . . . . 0.21 110.34 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 300' ' ' ALA . . . . . 0.47 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.85 -16.83 64.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.31 111.068 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 301' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 322' ' ' CYS . 82.1 t -80.81 -61.17 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.31 112.006 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 8.4 p -120.79 9.31 10.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.733 0.642 . . . . 0.34 112.733 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 59.83 28.15 17.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.06 0.457 . . . . 2.38 111.582 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 304' ' ' ASP . . . . . 0.543 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 52.0 t0 -107.0 167.04 10.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 1.54 109.819 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -118.8 -167.96 14.01 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.426 -0.67 . . . . 0.7 111.426 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 114.98 -119.15 4.54 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.365 -0.921 . . . . 0.4 111.814 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.2 82.89 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.869 0.366 . . . . 1.91 110.077 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 308' ' ' LEU . . . . . 0.921 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -99.5 144.39 28.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 0.24 111.607 -175.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.5 tt -127.98 112.26 26.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.395 -0.82 . . . . 0.21 109.086 172.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 310' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 44.3 t -96.47 139.15 33.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.636 . . . . 1.36 111.247 -173.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 311' ' ' CYS . . . . . 0.714 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 36.3 t -75.23 146.79 40.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.727 -1.124 . . . . 0.2 111.086 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 312' ' ' ASP . . . . . 0.618 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.8 t70 -61.86 -64.92 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.66 110.965 174.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.52 -27.96 55.14 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.734 -0.666 . . . . 0.37 114.606 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 29.5 p -136.41 133.0 19.06 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 117.587 0.694 . . . . 1.34 110.262 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.63 0.42 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.378 2.719 . . . . 0.52 113.942 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -60.28 140.12 57.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 1.3 110.619 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 317' ' ' ALA . . . . . 0.715 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -116.99 157.14 26.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.653 -0.869 . . . . 0.14 108.653 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 318' ' ' PHE . . . . . 0.539 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.3 m-85 -137.1 171.37 14.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.494 0.188 . . . . 0.21 110.57 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 319' ' ' HIS . . . . . 0.561 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 53.6 m80 -100.59 146.06 27.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.017 -0.735 . . . . 0.18 109.017 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 320' ' ' LEU . . . . . 0.536 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.8 mt -55.85 -51.83 66.17 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.662 0.245 . . . . 0.27 111.662 -173.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.69 -19.84 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.266 0.469 . . . . 0.2 112.266 -176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 322' ' ' CYS . . . . . 0.597 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -78.26 -24.45 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.21 110.859 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 323' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 318' ' ' PHE . 75.6 mt -70.76 154.26 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.312 -0.404 . . . . 0.2 111.245 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 t -140.32 117.34 8.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.34 -0.615 . . . . 0.93 109.34 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.25 135.68 38.04 Favored 'Cis proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.36 -1.517 . . . . 0.61 112.063 -2.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -63.63 147.15 92.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.22 2.613 . . . . 0.42 113.006 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -95.67 127.37 41.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.63 . . . . 1.03 109.793 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -87.75 -20.89 25.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.445 0.64 . . . . 3.15 110.3 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -137.69 153.67 49.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 1.57 110.345 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 320' ' ' LEU . 31.1 mm -80.16 117.68 68.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.074 -0.512 . . . . 0.28 110.942 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.06 142.95 47.96 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.67 2.247 . . . . 0.29 112.604 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 36.6 m -103.28 106.85 17.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.873 -0.603 . . . . 1.66 109.728 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.54 -169.76 25.02 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.008 -0.837 . . . . 0.46 111.008 -173.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 p -77.22 106.72 9.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.292 0.568 . . . . 0.58 111.003 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' TRP . . . . . 0.495 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.6 t90 -92.85 143.89 25.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.873 -0.603 . . . . 0.29 109.719 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' ARG . . . . . 0.714 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.6 mtt180 -126.68 140.49 52.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.928 0.394 . . . . 1.99 111.024 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 18.5 p -76.65 177.68 7.33 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.933 -0.576 . . . . 0.63 109.973 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 7.8 p -56.53 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.625 0.25 . . . . 1.47 111.474 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.0 t -58.94 -42.55 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 1.67 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 89.2 m -65.81 -40.52 91.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.646 -0.252 . . . . 0.57 111.495 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.6 mt . . . . . 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.85 110.55 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.933 -0.395 . . . . 0.29 109.933 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.673 ' HD2' HD22 ' A' ' 295' ' ' ASN . 11.2 ttp180 -75.11 84.31 2.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.324 0.583 . . . . 0.69 109.678 -176.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 142.9 29.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.95 111.257 -171.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.921 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.4 mtpp . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.948 -0.569 . . . . 0.75 110.6 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.873 -0.491 . . . . 7.93 111.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -84.9 135.73 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.049 -0.352 . . . . 6.29 110.049 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 92.9 mmm -81.63 71.84 8.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.169 0.509 . . . . 6.45 110.447 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -80.33 84.04 6.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.516 -0.765 . . . . 3.16 109.902 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -72.2 166.65 21.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 4.62 111.59 -176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -126.93 142.58 51.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.21 -0.904 . . . . 3.4 108.852 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.753 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -129.16 135.21 48.56 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.664 -0.495 . . . . 1.25 109.664 -178.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -71.0 136.57 48.46 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.749 -0.659 . . . . 1.11 110.531 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -87.16 0.93 54.52 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.215 -0.661 . . . . 0.49 109.215 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -125.44 138.08 54.0 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.543 -0.91 . . . . 2.53 108.543 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.631 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 33.5 t -66.05 138.7 57.95 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.261 -0.427 . . . . 0.21 111.293 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -66.36 -15.39 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.519 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.58 HG11 ' HB3' ' A' ' 322' ' ' CYS . 87.5 t -81.54 -61.67 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.353 -0.385 . . . . 0.31 111.566 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.84 6.98 10.9 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.447 0.536 . . . . 0.34 112.447 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 24.8 mmm180 54.26 34.66 20.93 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.271 0.628 . . . . 2.38 111.584 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.584 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 19.0 t0 -102.74 166.16 10.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.125 -0.695 . . . . 1.54 109.125 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.758 ' O ' ' HD2' ' B' ' 8' ' ' ARG . . . -109.17 -166.4 20.45 Favored Glycine 0 C--O 1.223 -0.587 0 C-N-CA 120.443 -0.884 . . . . 0.7 111.068 -174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 105.19 -125.74 8.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.278 -0.963 . . . . 0.4 112.696 176.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -76.18 88.47 3.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.322 0.582 . . . . 1.91 110.718 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.63 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.6 mt -104.11 147.74 27.07 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.361 -0.836 . . . . 0.24 111.564 -176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.413 HG13 ' HB1' ' B' ' 1' ' ' ALA . 9.6 tt -130.31 111.23 20.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.59 -0.893 . . . . 0.21 108.59 173.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -100.43 147.23 26.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.443 0.64 . . . . 1.36 111.372 -171.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.4 t -74.94 151.6 38.87 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.847 -1.069 . . . . 0.2 111.5 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.714 ' HA ' HH21 ' B' ' 2' ' ' ARG . 22.3 t70 -60.76 -68.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.144 -0.48 . . . . 0.66 111.065 175.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -79.79 -12.57 83.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.986 -0.626 . . . . 0.37 113.972 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 100.0 m -122.33 131.03 24.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 117.22 0.51 . . . . 1.34 110.754 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.83 -13.07 37.3 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 123.468 2.778 . . . . 0.52 113.857 -174.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -60.02 134.25 56.87 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.124 0.488 . . . . 1.3 111.598 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.92 147.43 39.99 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.264 -0.88 . . . . 0.14 108.641 171.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 44.5 m-85 -129.69 164.64 23.51 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 121.054 -0.258 . . . . 0.21 111.008 -175.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.584 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 37.9 m80 -89.34 146.12 24.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.413 -0.588 . . . . 0.18 109.413 170.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.66 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 78.6 mt -52.33 -55.71 19.72 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 123.462 0.476 . . . . 0.27 111.484 -174.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.45 -26.03 59.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.885 -0.598 . . . . 0.2 112.346 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.58 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.4 m -72.06 -24.07 61.46 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.693 0.283 . . . . 0.21 111.293 -177.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.421 HD13 HD23 ' A' ' 327' ' ' LEU . 25.8 mt -66.33 159.18 27.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.284 0.564 . . . . 0.2 112.181 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.416 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 40.6 t -139.74 108.2 7.09 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.338 -0.846 . . . . 0.93 109.415 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 13.5 Cg_exo -70.97 144.62 79.8 Favored 'Cis proline' 0 C--N 1.344 0.304 0 C-N-CA 123.747 -1.356 . . . . 0.61 112.599 0.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 8.0 Cg_exo -70.1 133.72 25.58 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.996 2.464 . . . . 0.42 112.551 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.66 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.0 mm? -79.66 131.4 35.96 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.342 -0.614 . . . . 1.03 109.342 174.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -100.5 -19.39 16.22 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.9 0.857 . . . . 3.15 108.904 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -146.71 151.2 36.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.383 -1.281 . . . . 1.57 109.55 -177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.477 ' HA ' ' HD3' ' A' ' 331' ' ' PRO . 39.8 mm -74.56 129.16 84.39 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.239 -0.437 . . . . 0.28 111.65 -176.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 330' ' ' ILE . 1.3 Cg_endo -82.26 136.51 8.95 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 123.756 2.971 . . . . 0.29 112.802 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 37.3 t -92.65 113.56 25.87 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.067 -0.515 . . . . 1.66 109.651 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.05 -167.29 25.73 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.699 -0.762 . . . . 0.46 111.64 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.5 p -84.9 102.66 13.3 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.049 0.452 . . . . 0.58 109.917 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.455 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.0 t90 -85.65 143.05 28.64 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.729 -0.668 . . . . 0.29 110.229 -176.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.672 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.9 mtt180 -125.87 138.0 53.78 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 1.99 110.637 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.3 p -68.04 171.84 6.36 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.379 -0.373 . . . . 0.63 110.626 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 15.4 m -57.64 -42.24 83.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.519 0.199 . . . . 1.47 111.453 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.1 t -58.01 -42.67 85.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.236 -0.438 . . . . 1.67 110.756 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 87.8 m -64.5 -42.39 95.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.134 -0.485 . . . . 0.57 111.365 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.0 mt -71.64 -20.21 62.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.107 0.479 . . . . 0.85 110.682 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -91.91 -8.75 45.47 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.944 -0.571 . . . . 1.93 110.13 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -90.97 24.82 2.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.958 -0.564 . . . . 1.31 111.651 -175.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 12.6 p -68.21 67.97 0.12 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.157 0.503 . . . . 2.69 110.957 171.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.52 -32.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 5.52 112.039 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -77.58 179.32 6.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.648 0.261 . . . . 6.73 111.233 -178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' A' ' 347' ' ' GLU . 13.4 mp0 -57.15 122.34 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.03 -0.532 . . . . 7.68 110.015 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.3 t -83.36 51.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.402 0.62 . . . . 9.19 110.762 -176.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 58.85 84.9 0.2 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.027 -0.988 . . . . 10.48 111.631 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -67.43 109.65 1.86 Allowed 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.553 2.169 . . . . 12.51 111.464 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' ' 351' ' ' ARG . 5.6 tpm_? -99.81 35.24 2.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.29 0.567 . . . . 14.87 110.513 -174.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -73.75 97.37 2.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.081 -0.509 . . . . 15.81 110.28 175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -95.87 -2.1 48.05 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.095 -0.502 . . . . 17.69 110.315 -177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.627 -0.701 . . . . 18.81 109.947 -176.78 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.413 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.898 -0.408 . . . . 0.29 109.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.714 HH21 ' HA ' ' A' ' 312' ' ' ASP . 40.9 ttm-85 -80.23 67.03 5.92 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.261 -0.644 . . . . 0.69 109.261 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.7 m -75.72 142.31 42.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.577 -0.738 . . . . 0.95 111.363 -174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.753 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.0 mtpp -131.06 150.69 52.03 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.552 -0.749 . . . . 0.75 109.328 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -129.93 76.42 1.72 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 2.88 109.988 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.493 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 21.4 p -89.64 -173.78 4.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.687 -0.688 . . . . 1.03 110.762 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.16 136.37 35.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.451 -0.341 . . . . 0.9 110.437 175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.758 ' HD2' ' O ' ' A' ' 305' ' ' GLY . 21.3 mmm-85 -69.07 143.6 54.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.248 -0.649 . . . . 3.09 109.248 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -102.36 -39.32 7.23 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.558 -0.534 . . . . 3.53 109.558 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.295 -0.866 . . . . 4.45 111.371 178.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.812 -0.515 . . . . 7.93 111.812 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -125.05 113.97 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.167 -0.308 . . . . 6.29 110.167 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 19.5 ttm -147.7 80.93 1.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.697 0.761 . . . . 6.45 110.867 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -122.2 111.97 17.61 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.015 -0.993 . . . . 3.16 108.873 172.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -59.05 155.83 12.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.398 . . . . 4.62 110.42 -177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -125.14 152.99 43.71 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.854 -0.424 . . . . 3.4 109.854 -172.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.728 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 3.7 p30 -126.86 136.0 51.75 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.763 -0.458 . . . . 1.25 109.763 177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.72 148.87 51.33 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.968 0.413 . . . . 1.11 110.661 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -92.24 1.9 56.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.751 -0.833 . . . . 0.49 108.751 173.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 134.21 52.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.294 -0.866 . . . . 2.53 108.764 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 38.4 t -66.42 138.4 57.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.173 -0.467 . . . . 0.21 110.633 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.536 ' HA ' HH11 ' A' ' 303' ' ' ARG . . . -65.24 -16.47 63.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 0.31 111.348 178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 322' ' ' CYS . 86.7 t -82.23 -63.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.962 -0.563 . . . . 0.31 111.527 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.5 p -115.69 3.97 13.99 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.128 0.418 . . . . 0.34 112.128 -173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.536 HH11 ' HA ' ' A' ' 300' ' ' ALA . 29.5 mmm180 56.7 32.69 21.59 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.372 0.669 . . . . 2.38 111.8 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.462 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.7 t70 -105.81 -179.88 4.07 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.216 -0.661 . . . . 1.54 109.216 177.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -124.63 -179.25 15.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.921 -0.657 . . . . 0.7 112.02 -175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.68 -126.28 6.15 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.624 -0.798 . . . . 0.4 112.186 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -75.96 88.24 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.864 0.364 . . . . 1.91 110.263 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.601 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 91.6 mt -102.16 145.76 28.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.475 0.655 . . . . 0.24 112.128 -173.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.6 tt -128.49 115.23 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.019 -0.992 . . . . 0.21 109.469 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.812 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 51.0 t -102.03 147.11 26.97 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.271 0.558 . . . . 1.36 111.07 -173.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.634 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 53.2 t -75.24 154.83 37.31 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.066 -0.97 . . . . 0.2 111.3 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.46 ' HA ' HH21 ' B' ' 2' ' ' ARG . 21.2 t70 -60.58 -69.17 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.746 0.276 . . . . 0.66 111.746 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -84.89 1.92 88.56 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.907 -0.663 . . . . 0.37 113.722 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 71.5 m -131.94 127.83 21.3 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 117.139 0.469 . . . . 1.34 110.742 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.83 -10.82 28.2 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.17 2.58 . . . . 0.52 113.482 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 316' ' ' ARG . 63.5 mtt85 -60.48 130.25 45.64 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.82 0.343 . . . . 1.3 111.073 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.596 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.7 154.38 23.94 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.811 -0.811 . . . . 0.14 108.811 172.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.533 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.8 m-85 -133.48 166.15 23.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.775 0.322 . . . . 0.21 111.166 -176.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -96.53 146.43 24.81 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.804 -0.813 . . . . 0.18 108.804 169.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 78.1 mt -56.91 -51.38 69.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.757 0.28 . . . . 0.27 111.757 -173.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.84 -19.8 60.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.365 -0.379 . . . . 0.2 111.817 -176.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.555 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.9 m -79.19 -19.36 51.04 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.953 0.406 . . . . 0.21 111.001 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 42.2 mt -72.72 156.27 39.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.09 0.471 . . . . 0.2 111.038 175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 31.9 t -139.64 108.79 7.21 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 0.93 109.414 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 9.1 Cg_exo -73.91 144.27 80.47 Favored 'Cis proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.961 -1.266 . . . . 0.61 112.702 0.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.54 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 8.2 Cg_exo -70.04 133.34 24.82 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.368 2.712 . . . . 0.42 112.519 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.95 129.76 34.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 1.03 110.668 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.878 ' HG2' ' HG3' ' A' ' 329' ' ' GLU . 0.0 OUTLIER -82.21 -25.99 33.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 3.15 110.828 179.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . 0.878 ' HG3' ' HG2' ' A' ' 328' ' ' ARG . 0.0 OUTLIER -144.71 157.58 44.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 1.57 110.374 177.096 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.406 ' HA ' ' HD2' ' A' ' 331' ' ' PRO . 23.5 mm -75.4 122.04 86.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.563 -0.744 . . . . 0.28 112.411 -175.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 330' ' ' ILE . 9.8 Cg_endo -60.2 138.47 81.63 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.06 2.506 . . . . 0.29 112.314 177.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.5 m -94.07 53.86 1.83 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.41 0.624 . . . . 1.66 110.816 -175.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.25 -168.17 35.41 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.536 -0.756 . . . . 0.46 111.497 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 5.0 p -66.07 113.17 4.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.929 0.395 . . . . 0.58 110.552 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -90.62 148.12 22.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.702 -0.681 . . . . 0.29 109.689 -178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.634 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 54.9 mtt180 -130.26 129.53 43.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.479 -0.328 . . . . 1.99 110.662 -177.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.9 p -72.97 172.61 10.63 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.222 -0.445 . . . . 0.63 110.692 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.9 m -51.82 -42.71 62.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.36 . . . . 1.47 111.043 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.7 m -55.17 -43.42 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.674 -0.694 . . . . 1.67 111.301 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.9 m -65.96 -42.56 89.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.57 111.104 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.77 -36.64 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.85 110.852 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -75.49 -14.17 60.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.1 -0.5 . . . . 1.93 110.867 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -92.88 7.32 44.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 1.31 111.481 -177.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 7.9 p -120.92 42.84 2.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.186 0.517 . . . . 2.69 111.003 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.85 -26.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.872 -0.604 . . . . 5.52 110.403 -178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' ' 346' ' ' GLN . 0.1 OUTLIER -61.95 141.79 57.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.553 -0.748 . . . . 6.73 110.83 -178.055 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -61.67 124.16 19.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.171 -0.468 . . . . 7.68 110.564 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 26.0 t -89.87 -18.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 122.24 1.019 . . . . 9.19 109.163 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -88.78 118.61 69.49 Favored Pre-proline 0 C--N 1.311 -1.1 0 CA-C-N 114.038 -1.437 . . . . 10.48 109.915 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.84 171.2 18.72 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.711 2.274 . . . . 12.51 111.563 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.623 HH21 ' HA ' ' A' ' 354' ' ' GLU . 11.5 mmm180 -93.23 117.97 30.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.106 0.479 . . . . 14.87 110.796 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -114.36 104.15 11.78 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.26 -1.015 . . . . 15.81 108.26 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 67.34 92.1 0.08 Allowed 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.975 0.797 . . . . 17.69 109.992 -172.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . 0.623 ' HA ' HH21 ' A' ' 351' ' ' ARG . 42.3 mt-10 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.756 -0.657 . . . . 18.81 110.436 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.96 -0.385 . . . . 0.29 109.96 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.9 ttm-85 -82.12 72.32 9.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.136 0.493 . . . . 0.69 109.89 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.1 p -77.58 150.53 34.7 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.656 0.613 . . . . 0.95 112.656 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.625 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 51.1 mtpt -139.5 158.25 44.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.53 -0.759 . . . . 0.75 109.428 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -133.29 78.2 1.77 Allowed 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.742 -0.836 . . . . 2.88 108.742 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 52.8 p -92.86 173.91 7.51 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.502 -0.772 . . . . 1.03 111.124 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.61 132.54 40.71 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.526 -0.546 . . . . 0.9 109.526 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 -65.51 145.25 56.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.263 -0.426 . . . . 3.09 110.401 -177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.462 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 32.6 mmtp -100.47 15.85 26.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.115 -0.493 . . . . 3.53 110.426 -173.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.251 1.178 0 CA-C-N 115.877 -0.601 . . . . 4.45 109.727 176.207 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 111.784 -0.527 . . . . 7.93 111.784 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -115.62 97.14 5.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.891 0.377 . . . . 6.29 111.023 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -143.37 13.32 1.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.225 0.536 . . . . 6.45 110.324 177.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -145.76 63.55 1.25 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.772 -0.649 . . . . 3.16 111.33 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -98.83 143.28 29.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.882 0.373 . . . . 4.62 110.5 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . 0.58 ' O ' ' HB3' ' A' ' 315' ' ' PRO . 27.4 tptp -138.28 143.16 39.89 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.732 -0.84 . . . . 3.4 108.732 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.748 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.5 p30 -101.96 135.42 43.56 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 120.854 0.359 . . . . 1.25 110.278 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.401 ' HB3' ' OE2' ' A' ' 298' ' ' GLU . 45.4 mt-10 -72.53 139.12 47.37 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.848 -0.615 . . . . 1.11 109.831 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.69 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 20.4 m-20 -89.84 11.92 18.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.337 -0.392 . . . . 0.49 111.649 -171.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.401 ' OE2' ' HB3' ' A' ' 296' ' ' GLU . 0.0 OUTLIER -141.13 135.13 30.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.572 0.701 . . . . 2.53 110.166 176.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 43.2 t -59.84 137.43 58.06 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.759 -1.109 . . . . 0.21 111.995 -174.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.557 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -67.33 -11.61 58.05 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.893 -0.594 . . . . 0.31 111.233 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.626 HG11 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -82.07 -67.21 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.026 -0.534 . . . . 0.31 111.282 178.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.93 4.28 12.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.043 0.386 . . . . 0.34 112.043 -171.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.456 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 27.8 mmt180 57.98 31.04 20.09 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.203 0.525 . . . . 2.38 111.886 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.506 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.6 t70 -99.72 174.03 6.42 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.303 -0.999 . . . . 1.54 108.303 175.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.468 ' C ' ' HA ' ' B' ' 8' ' ' ARG . . . -123.83 -179.74 15.86 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.394 -0.908 . . . . 0.7 111.98 -175.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 123.85 -132.7 8.51 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.667 -0.778 . . . . 0.4 112.13 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -72.99 78.22 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.239 0.542 . . . . 1.91 110.251 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.677 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 20.8 mt -89.83 150.21 22.34 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.321 -0.854 . . . . 0.24 111.342 -176.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.1 tt -126.52 117.25 47.73 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.648 -0.871 . . . . 0.21 108.648 172.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.783 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 52.3 t -104.07 146.93 28.01 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.274 0.559 . . . . 1.36 110.847 -172.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.779 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.8 t -74.68 151.4 39.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.122 -0.944 . . . . 0.2 111.051 179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.423 ' HA ' HH21 ' B' ' 2' ' ' ARG . 30.0 t70 -60.76 -67.0 0.44 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.974 -0.557 . . . . 0.66 111.047 173.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.79 -10.03 84.96 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 114.857 0.703 . . . . 0.37 114.857 -171.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.6 p -136.58 133.68 19.22 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 117.882 0.841 . . . . 1.34 110.565 178.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.58 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 25.9 Cg_exo -62.49 -5.78 7.56 Favored 'Trans proline' 0 N--CA 1.476 0.443 0 C-N-CA 123.703 2.935 . . . . 0.52 114.208 -174.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -64.74 132.87 50.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.066 0.46 . . . . 1.3 111.565 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.677 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -112.28 153.41 27.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.421 -0.809 . . . . 0.14 108.974 173.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.618 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 52.5 m-85 -135.1 166.77 22.3 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.65 0.262 . . . . 0.21 110.532 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.555 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.5 m80 -96.08 147.9 23.24 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.258 -0.645 . . . . 0.18 109.258 171.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.582 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 85.5 mt -55.44 -51.99 65.09 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.218 0.324 . . . . 0.27 111.402 -173.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.26 53.0 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.174 0.435 . . . . 0.2 112.174 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.626 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.9 m -75.05 -25.4 58.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.583 0.23 . . . . 0.21 111.335 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.0 157.71 36.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.317 0.58 . . . . 0.2 111.815 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 14.2 t -139.45 111.83 7.75 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 108.608 -0.886 . . . . 0.93 108.608 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.52 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.3 Cg_endo -73.87 141.55 72.09 Favored 'Cis proline' 0 C--O 1.233 0.272 0 C-N-CA 123.365 -1.514 . . . . 0.61 112.213 2.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 2.9 Cg_exo -72.01 138.09 30.4 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.891 2.394 . . . . 0.42 111.91 -179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.582 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -90.08 127.36 36.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.174 -0.466 . . . . 1.03 110.358 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -84.56 -23.19 29.79 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.271 0.558 . . . . 3.15 110.122 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -141.25 157.25 45.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.064 -0.971 . . . . 1.57 109.665 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 28.8 mm -78.68 121.77 83.97 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.394 . . . . 0.28 111.378 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.532 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.9 Cg_endo -64.68 138.77 60.31 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.968 2.445 . . . . 0.29 112.618 178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 46.2 m -96.32 52.07 1.24 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.974 -0.557 . . . . 1.66 110.647 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.22 -165.84 30.73 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.559 -0.829 . . . . 0.46 112.381 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -67.83 108.7 3.08 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.279 0.561 . . . . 0.58 111.081 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.515 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.1 t90 -95.96 146.0 24.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.768 -0.651 . . . . 0.29 110.177 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.779 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.1 mtt180 -132.54 137.38 47.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.355 -0.384 . . . . 1.99 110.735 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -71.83 172.61 9.56 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.128 -0.487 . . . . 0.63 110.778 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.0 m -54.46 -45.38 73.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.633 0.254 . . . . 1.47 111.113 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.8 m -55.86 -43.0 76.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 1.67 111.308 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 97.6 m -65.73 -42.5 90.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.005 -0.543 . . . . 0.57 111.384 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.82 -33.28 70.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.079 0.466 . . . . 0.85 110.618 -178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -85.99 9.16 17.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.311 0.576 . . . . 1.93 110.35 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -92.3 6.4 46.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.179 0.514 . . . . 1.31 110.218 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 7.4 p -143.09 45.56 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.607 -0.724 . . . . 2.69 110.55 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 57.4 t -84.48 -47.19 17.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.99 -0.55 . . . . 5.52 109.814 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 60.67 80.34 0.22 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.744 -0.662 . . . . 6.73 111.267 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -91.96 21.76 4.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.328 0.585 . . . . 7.68 110.581 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 11.5 t -107.28 65.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.751 0.786 . . . . 9.19 109.515 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -130.95 106.36 15.17 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 115.206 -0.906 . . . . 10.48 110.371 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.98 117.21 3.93 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.42 2.08 . . . . 12.51 110.825 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -124.27 94.68 4.28 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.166 0.508 . . . . 14.87 111.602 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -120.85 167.65 12.3 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.779 -1.193 . . . . 15.81 107.779 165.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -100.94 24.56 9.12 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.326 0.584 . . . . 17.69 110.269 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 . . . . . 0 C--O 1.25 1.118 0 CA-C-N 115.046 -0.979 . . . . 18.81 109.941 179.276 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.532 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 109.808 -0.441 . . . . 0.29 109.808 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.783 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 48.3 ttm-85 -83.35 64.96 8.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.388 0.613 . . . . 0.69 109.641 -177.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.25 151.4 44.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.408 -0.815 . . . . 0.95 111.504 -174.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.748 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 26.7 mtpp -136.13 138.09 41.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.817 -0.629 . . . . 0.75 110.184 -178.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.64 -57.42 3.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.123 -0.695 . . . . 2.88 109.123 175.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.415 HG22 ' H ' ' B' ' 7' ' ' ALA . 0.2 OUTLIER 52.09 -160.63 0.1 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.948 -0.569 . . . . 1.03 112.279 170.253 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.415 ' H ' HG22 ' B' ' 6' ' ' THR . . . -129.49 141.8 50.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.387 -0.597 . . . . 0.9 109.387 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.468 ' HA ' ' C ' ' A' ' 305' ' ' GLY . 99.5 mtt180 -73.58 154.84 39.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.361 0.413 . . . . 3.09 110.833 -178.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -109.42 9.94 25.45 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.133 0.492 . . . . 3.53 110.096 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.247 0.937 0 CA-C-N 115.526 -0.761 . . . . 4.45 109.688 175.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.832 -0.507 . . . . 7.93 111.832 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . 0.741 ' HB1' ' HB2' ' A' ' 293' ' ' GLN . . . -73.71 93.7 2.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.867 0.365 . . . . 6.29 110.588 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 23.0 ptp -92.56 -7.59 46.76 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.227 0.537 . . . . 6.45 110.914 -178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -127.46 -4.6 6.0 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.214 -0.903 . . . . 3.16 110.903 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . 0.741 ' HB2' ' HB1' ' A' ' 290' ' ' ALA . 41.4 mt-30 -116.98 151.33 36.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.752 -0.658 . . . . 4.62 109.913 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -139.91 150.4 44.52 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 109.459 -0.571 . . . . 3.4 109.459 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.731 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.3 OUTLIER -138.82 134.55 33.52 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.76 -0.459 . . . . 1.25 109.76 178.361 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -69.41 144.46 53.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.176 -0.466 . . . . 1.11 110.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -91.17 0.67 57.48 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.923 0.392 . . . . 0.49 110.75 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.85 139.53 41.75 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.7 -0.682 . . . . 2.53 110.094 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.637 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 35.3 t -63.14 137.8 58.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.864 -1.062 . . . . 0.21 111.168 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.517 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.35 -19.59 66.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.019 -0.537 . . . . 0.31 111.324 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.593 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -75.0 -63.25 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.474 . . . . 0.31 111.251 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 19.1 p -116.78 3.72 12.97 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.384 0.513 . . . . 0.34 112.384 -171.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 32.7 mmt180 55.96 36.62 27.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.87 -0.605 . . . . 2.38 112.005 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.459 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.5 t0 -112.77 170.9 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.69 -0.856 . . . . 1.54 108.69 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.508 ' O ' ' HD3' ' B' ' 8' ' ' ARG . . . -112.38 -166.77 17.4 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.85 -0.69 . . . . 0.7 111.698 -176.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 109.58 -122.13 6.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.42 -0.895 . . . . 0.4 112.719 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -74.45 86.91 2.05 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.845 0.38 . . . . 1.91 110.457 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.851 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -101.03 141.08 34.43 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.53 0.681 . . . . 0.24 112.584 -174.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.64 HG13 ' HB1' ' B' ' 1' ' ' ALA . 2.9 tt -127.85 112.14 26.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 114.779 -1.1 . . . . 0.21 108.748 171.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 2.5 m -100.78 148.2 25.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.043 0.449 . . . . 1.36 110.886 -174.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 314' ' ' CYS . 53.4 t -72.09 148.19 46.01 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.221 -0.899 . . . . 0.2 110.131 175.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.44 ' HA ' HH21 ' B' ' 2' ' ' ARG . 18.0 t70 -62.01 -67.49 0.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.798 -0.361 . . . . 0.66 110.678 173.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -68.3 -20.05 72.96 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.101 -0.5 . . . . 0.37 113.918 -173.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 311' ' ' CYS . 73.8 m -126.79 131.6 23.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 117.3 0.55 . . . . 1.34 110.516 -178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.42 -8.11 19.73 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.098 2.532 . . . . 0.52 113.797 -173.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 300' ' ' ALA . 77.1 mtt180 -61.02 130.46 46.5 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.25 0.548 . . . . 1.3 111.33 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -110.89 153.76 25.0 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.257 -0.883 . . . . 0.14 108.95 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.637 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 45.6 m-85 -137.4 171.33 14.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.8 0.333 . . . . 0.21 111.233 -176.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.8 m80 -100.33 150.62 22.4 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.003 -0.74 . . . . 0.18 109.003 170.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.9 mt -57.27 -55.8 30.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.67 0.271 . . . . 0.27 111.145 -175.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.14 -25.11 61.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.009 -0.542 . . . . 0.2 112.294 -176.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.593 ' HB3' HG11 ' A' ' 301' ' ' VAL . 93.7 m -73.6 -24.12 60.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.445 -0.343 . . . . 0.21 111.423 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.526 HD13 HD23 ' A' ' 327' ' ' LEU . 38.7 mt -67.69 158.38 32.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.227 0.537 . . . . 0.2 111.719 176.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 4.4 p -137.32 109.75 8.91 Favored Pre-proline 0 N--CA 1.435 -1.206 0 CA-C-N 115.506 -0.77 . . . . 0.93 110.506 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 15.4 Cg_exo -70.09 146.81 83.9 Favored 'Cis proline' 0 C--N 1.347 0.469 0 C-N-CA 124.137 -1.193 . . . . 0.61 112.225 -2.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.527 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . 7.5 Cg_exo -69.53 145.92 59.99 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.956 2.437 . . . . 0.42 112.214 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.562 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.4 mm? -92.35 136.07 33.51 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.007 -0.542 . . . . 1.03 109.897 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 328' ' ' ARG . 1.3 ptm180 -99.94 -18.16 17.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.348 0.594 . . . . 3.15 110.422 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -146.01 149.0 33.3 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.254 -0.884 . . . . 1.57 109.912 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.9 122.06 84.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 0.28 111.24 -177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.97 139.44 41.52 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.791 2.994 . . . . 0.29 112.972 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 m -90.18 29.94 1.17 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.563 -0.744 . . . . 1.66 111.23 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.2 -158.77 18.39 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.921 -0.657 . . . . 0.46 112.071 -176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.1 p -68.26 113.46 5.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.58 110.977 176.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.401 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.7 t90 -90.07 144.57 25.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.284 -0.416 . . . . 0.29 110.24 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.478 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 58.4 mtt85 -116.94 133.56 55.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 1.99 111.108 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 27.5 p -81.23 179.53 7.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 0.63 110.188 176.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 14.7 m -53.26 -45.77 68.95 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.953 0.353 . . . . 1.47 111.953 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 32.3 t -56.74 -47.09 80.81 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 120.863 0.363 . . . . 1.67 111.157 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.7 m -66.26 -41.55 89.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.441 -0.345 . . . . 0.57 110.843 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.8 -31.43 72.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.42 . . . . 0.85 110.868 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -67.73 -26.14 66.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 1.93 110.587 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -83.79 42.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.482 . . . . 1.31 110.591 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.09 72.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.591 -0.731 . . . . 2.69 111.828 176.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 48.9 t -82.98 -39.32 15.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.304 -0.628 . . . . 5.52 109.304 175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -72.83 139.23 46.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.236 -0.893 . . . . 6.73 109.809 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -117.07 34.07 5.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.483 0.659 . . . . 7.68 110.375 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.7 p -127.74 78.85 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-O 122.05 0.928 . . . . 9.19 110.082 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -83.51 110.61 25.66 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.176 -0.92 . . . . 10.48 108.906 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.57 151.53 53.82 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 123.1 2.533 . . . . 12.51 112.961 -176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -116.02 24.94 11.07 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.757 -0.656 . . . . 14.87 110.926 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -76.21 76.05 3.02 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.226 -0.657 . . . . 15.81 109.226 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.55 139.22 30.75 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.659 -0.7 . . . . 17.69 111.107 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.579 -0.737 . . . . 18.81 109.631 178.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.64 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 110.237 -0.282 . . . . 0.29 110.237 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 45.9 ttm-85 -80.81 75.04 7.75 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 109.392 -0.595 . . . . 0.69 109.392 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -71.9 149.68 44.91 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.942 0.401 . . . . 0.95 111.791 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.851 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 51.1 mtpt -137.6 156.18 48.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.91 -0.586 . . . . 0.75 110.429 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -129.09 86.04 2.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.643 -0.708 . . . . 2.88 109.168 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 52.1 p -107.0 171.5 7.34 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.13 -0.486 . . . . 1.03 110.763 -178.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.41 134.83 38.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.157 -0.474 . . . . 0.9 110.494 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.508 ' HD3' ' O ' ' A' ' 305' ' ' GLY . 24.0 mmt180 -62.81 141.59 58.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.714 -0.676 . . . . 3.09 110.427 177.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -96.81 -77.68 0.48 Allowed 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.561 -0.745 . . . . 3.53 110.543 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.282 -0.866 . . . . 4.45 110.896 -177.43 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.145 -0.382 . . . . 7.93 112.145 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 71.82 -63.19 0.43 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.72 0.808 . . . . 6.29 112.149 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 55.7 mtt -72.44 109.67 6.3 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.026 -0.534 . . . . 6.45 111.257 -175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 60.53 17.05 6.98 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.605 0.565 . . . . 3.16 111.829 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -161.1 105.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 4.62 109.795 -175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -129.64 153.19 48.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.149 -0.478 . . . . 3.4 109.934 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.715 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.2 p30 -126.47 136.4 52.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.804 0.335 . . . . 1.25 110.114 175.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 41.3 mt-10 -71.79 136.65 47.17 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 1.11 109.959 177.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 1.9 m-20 -87.9 11.98 14.34 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.92 -0.77 . . . . 0.49 108.92 174.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -131.92 131.47 42.71 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.183 -0.917 . . . . 2.53 108.622 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.7 t -63.73 137.54 58.12 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.393 -0.367 . . . . 0.21 110.942 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.601 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -68.82 -19.34 64.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.973 0.416 . . . . 0.31 111.01 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.647 HG11 ' HB3' ' A' ' 322' ' ' CYS . 70.1 t -76.43 -62.29 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 0.31 111.671 -179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -126.35 10.4 7.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.353 0.501 . . . . 0.34 112.353 -174.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 299' ' ' CYS . 33.9 mmt180 56.98 34.22 24.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.031 -0.532 . . . . 2.38 112.374 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.51 -175.68 3.16 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.138 -0.69 . . . . 1.54 109.138 173.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -132.29 -175.53 14.02 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.532 -0.842 . . . . 0.7 111.843 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.589 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 119.02 -127.11 7.08 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.56 -0.828 . . . . 0.4 112.435 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -78.67 84.49 4.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.148 0.499 . . . . 1.91 110.379 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.621 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 77.3 mt -95.19 144.99 25.35 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.571 -0.74 . . . . 0.24 112.3 -174.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.584 HG13 ' HB1' ' B' ' 1' ' ' ALA . 5.9 tt -124.23 105.09 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.06 -0.973 . . . . 0.21 109.171 173.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.5 m -92.72 147.85 22.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 1.36 110.726 -175.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.786 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 34.6 t -74.56 152.51 39.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.6 -0.727 . . . . 0.2 110.783 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.592 ' HA ' HH21 ' B' ' 2' ' ' ARG . 28.1 t70 -60.79 -68.12 0.34 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.197 -0.456 . . . . 0.66 110.975 175.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -74.01 -10.39 80.88 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 114.664 0.626 . . . . 0.37 114.664 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.7 p -136.41 134.1 19.66 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 117.757 0.778 . . . . 1.34 110.148 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -61.9 -9.24 13.66 Favored 'Trans proline' 0 N--CA 1.472 0.257 0 C-N-CA 123.53 2.82 . . . . 0.52 114.108 -172.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.405 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 58.8 mtt180 -60.14 131.18 50.03 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.978 0.418 . . . . 1.3 111.624 -177.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.706 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.16 151.11 28.55 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.402 -0.817 . . . . 0.14 109.009 174.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.601 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 49.5 m-85 -135.59 169.52 17.39 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.808 0.337 . . . . 0.21 110.922 -176.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.563 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 54.0 m80 -100.38 145.83 27.73 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.77 -0.826 . . . . 0.18 108.77 169.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 327' ' ' LEU . 81.3 mt -55.78 -51.91 65.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.708 0.289 . . . . 0.27 111.473 -173.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.24 -15.17 60.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.988 -0.551 . . . . 0.2 111.765 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.647 ' HB3' HG11 ' A' ' 301' ' ' VAL . 74.6 m -82.84 -20.0 36.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.21 110.801 178.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 61.4 mt -75.71 154.66 36.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.209 -0.451 . . . . 0.2 111.386 176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 23.0 t -139.99 110.08 7.14 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.782 -0.645 . . . . 0.93 109.512 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 10.6 Cg_exo -71.93 146.86 87.02 Favored 'Cis proline' 0 C--N 1.342 0.223 0 C-N-CA 123.601 -1.416 . . . . 0.61 112.441 0.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.1 Cg_exo -74.98 139.01 23.84 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.81 2.34 . . . . 0.42 112.463 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.428 ' HB2' HD22 ' A' ' 320' ' ' LEU . 4.0 mm? -86.76 127.55 34.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.817 -0.629 . . . . 1.03 109.798 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -78.1 -26.63 48.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.921 0.391 . . . . 3.15 110.585 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -143.05 161.48 38.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.877 -0.601 . . . . 1.57 110.316 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.422 HD13 HD21 ' A' ' 320' ' ' LEU . 34.2 mm -76.69 119.15 76.18 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.28 111.363 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -66.54 135.49 39.32 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.682 2.254 . . . . 0.29 112.102 177.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 8.7 t -94.03 57.52 2.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.487 0.66 . . . . 1.66 110.489 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -171.62 -170.47 35.68 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.934 -0.866 . . . . 0.46 110.934 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.4 p -65.42 114.37 4.78 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.147 0.499 . . . . 0.58 110.597 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.56 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 86.5 t90 -101.01 146.46 27.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.967 -0.56 . . . . 0.29 110.274 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.786 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 59.2 mtt180 -127.74 139.59 52.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.195 -0.457 . . . . 1.99 110.849 -178.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.4 p -72.86 174.33 7.9 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.14 -0.482 . . . . 0.63 110.106 178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 38.4 t -56.14 -44.95 79.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.775 0.321 . . . . 1.47 110.676 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.7 m -55.22 -45.98 75.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 1.67 111.138 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 81.4 m -66.71 -43.11 85.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.57 111.847 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.14 -32.2 73.77 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.442 0.639 . . . . 0.85 110.759 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -88.59 -3.93 58.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.364 -0.835 . . . . 1.93 110.531 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.12 -1.68 58.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.115 0.483 . . . . 1.31 110.508 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.2 p -131.54 90.84 2.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.668 -0.696 . . . . 2.69 109.448 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 48.6 t -94.99 -38.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.148 -0.478 . . . . 5.52 110.965 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -82.93 -80.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 6.73 111.179 -177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.708 ' HG2' ' H ' ' A' ' 349' ' ' GLN . 41.6 tt0 -144.99 138.96 27.16 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.025 -0.361 . . . . 7.68 110.025 -177.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 8.3 p -97.26 11.95 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 121.891 0.853 . . . . 9.19 110.912 -177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.708 ' H ' ' HG2' ' A' ' 347' ' ' GLU . 76.4 mm-40 -124.14 119.72 26.43 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.648 -0.705 . . . . 10.48 110.419 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -64.97 119.44 6.46 Favored 'Trans proline' 0 C--N 1.335 -0.17 0 C-N-CA 123.081 2.52 . . . . 12.51 111.868 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -73.81 127.27 32.36 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.7 -0.482 . . . . 14.87 109.7 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -124.13 76.05 1.43 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 15.81 110.319 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 70.19 177.66 0.26 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.733 -0.667 . . . . 17.69 111.224 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.728 -0.653 . . . . 18.81 109.74 -176.905 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.584 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 109.698 -0.482 . . . . 0.29 109.698 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -77.28 84.96 3.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.019 -0.537 . . . . 0.69 110.524 -173.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 26.5 p -87.14 139.26 30.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.732 0.641 . . . . 0.95 112.732 -172.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.715 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 27.2 mtpp -126.52 133.05 51.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.269 -0.878 . . . . 0.75 109.327 176.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' B' ' 5' ' ' GLN . 13.8 mm-40 -107.95 78.06 1.16 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.459 0.647 . . . . 2.88 110.335 175.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.526 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 22.8 p -97.36 177.76 5.44 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.37 -0.832 . . . . 1.03 110.421 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.07 135.06 35.77 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.836 -0.431 . . . . 0.9 109.836 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.589 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 35.5 mtm180 -68.51 146.95 52.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.98 0.419 . . . . 3.09 110.645 -179.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -90.77 -9.96 44.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.006 -0.543 . . . . 3.53 110.364 -176.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.542 -0.742 . . . . 4.45 110.398 179.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 112.138 -0.385 . . . . 7.93 112.138 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -108.74 87.48 2.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.784 0.292 . . . . 6.29 111.785 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.4 tpt 51.57 72.92 0.34 Allowed 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.642 0.589 . . . . 6.45 112.083 173.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -117.7 12.31 13.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.284 -0.416 . . . . 3.16 110.9 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 293' ' ' GLN . 14.9 mm-40 -99.64 157.54 16.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 4.62 110.548 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -143.21 152.55 41.87 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.004 -0.544 . . . . 3.4 109.642 -176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.857 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 3.3 p30 -122.53 137.38 54.9 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.483 -0.326 . . . . 1.25 110.4 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.43 134.15 47.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.829 -0.434 . . . . 1.11 109.829 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.742 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 5.9 m-20 -86.85 9.9 17.73 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.463 -0.569 . . . . 0.49 109.463 175.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -127.68 135.26 49.95 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.409 -0.96 . . . . 2.53 108.409 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.608 ' O ' ' HD2' ' A' ' 303' ' ' ARG . 42.8 t -66.98 138.12 57.02 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.89 0.376 . . . . 0.21 110.839 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.59 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -68.73 -15.8 63.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.794 0.331 . . . . 0.31 111.386 178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.614 HG11 ' HB3' ' A' ' 322' ' ' CYS . 74.0 t -79.02 -62.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.475 . . . . 0.31 111.414 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.5 p -119.03 5.18 11.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.982 0.42 . . . . 0.34 112.018 -173.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.608 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 28.2 mmm180 54.92 35.93 25.59 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.542 -0.754 . . . . 2.38 111.38 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.468 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 5.4 t70 -102.43 175.61 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.631 -0.878 . . . . 1.54 108.631 176.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.54 -175.91 15.13 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.552 -0.833 . . . . 0.7 111.876 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 121.84 -128.6 7.32 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.731 -0.747 . . . . 0.4 112.2 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.87 92.1 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.098 0.475 . . . . 1.91 110.266 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.868 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.3 mt -104.0 146.7 28.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.24 111.806 -173.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 4.4 tt -125.78 114.65 40.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.275 -0.875 . . . . 0.21 109.187 171.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 40.8 t -100.46 142.57 31.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.395 0.617 . . . . 1.36 111.682 -172.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 39.2 t -74.44 141.29 45.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.93 -1.032 . . . . 0.2 110.085 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -61.11 -64.56 0.91 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.992 0.425 . . . . 0.66 110.911 176.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -63.39 -21.3 64.3 Favored Glycine 0 CA--C 1.525 0.661 0 CA-C-N 115.974 -0.557 . . . . 0.37 114.307 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 81.8 m -135.87 131.98 19.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 117.632 0.716 . . . . 1.34 110.899 -178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 27.2 Cg_exo -60.52 -14.69 31.99 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.628 2.885 . . . . 0.52 114.2 -172.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -58.14 132.95 55.06 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.001 0.429 . . . . 1.3 111.43 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -113.06 152.33 29.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.56 -0.745 . . . . 0.14 109.15 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 38.9 m-85 -132.54 162.22 31.79 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 120.615 0.245 . . . . 0.21 110.753 -175.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.578 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.6 m80 -93.49 146.13 24.0 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.077 -0.712 . . . . 0.18 109.077 170.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.571 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 92.1 mt -56.67 -54.38 46.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.747 0.308 . . . . 0.27 111.211 -173.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.11 -17.31 60.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.529 . . . . 0.2 112.122 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.614 ' HB3' HG11 ' A' ' 301' ' ' VAL . 80.4 m -79.53 -21.15 45.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.886 0.374 . . . . 0.21 111.026 179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.4 mt -74.84 154.71 38.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.369 0.604 . . . . 0.2 111.715 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 26.9 t -139.88 107.45 6.94 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.171 -0.922 . . . . 0.93 108.762 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 87.4 Cg_endo -76.61 143.58 76.46 Favored 'Cis proline' 0 CA--C 1.529 0.236 0 C-N-CA 123.508 -1.455 . . . . 0.61 112.735 5.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.4 Cg_exo -75.18 144.04 29.19 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.841 2.361 . . . . 0.42 112.178 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.571 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -95.82 132.66 40.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.944 -0.571 . . . . 1.03 109.958 177.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -88.51 -26.61 21.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.164 0.507 . . . . 3.15 109.933 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.58 160.23 39.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.576 -0.738 . . . . 1.57 109.893 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.426 HD13 ' HA ' ' A' ' 330' ' ' ILE . 29.5 mm -80.49 121.87 81.88 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.992 -0.549 . . . . 0.28 111.768 -177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.542 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 9.6 Cg_endo -57.79 139.38 90.13 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.463 2.775 . . . . 0.29 112.767 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.9 p -89.43 38.43 0.9 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.511 -0.768 . . . . 1.66 111.395 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -166.4 -170.92 31.93 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.489 -0.644 . . . . 0.46 111.489 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 36.9 p -66.15 112.0 3.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.819 0.343 . . . . 0.58 110.368 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.456 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 82.9 t90 -84.92 145.74 27.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.416 . . . . 0.29 110.102 -176.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.528 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 93.8 mtt180 -119.7 132.3 55.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.148 -0.478 . . . . 1.99 110.647 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 25.0 p -79.15 177.27 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.029 -0.532 . . . . 0.63 110.304 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.9 m -53.2 -43.94 67.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.682 -0.235 . . . . 1.47 111.279 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 42.4 t -55.97 -51.44 67.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 1.67 111.011 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.4 m -60.85 -42.44 97.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.128 -0.487 . . . . 0.57 111.098 -178.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.14 -43.47 86.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.85 110.611 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -72.51 -27.22 62.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.888 -0.597 . . . . 1.93 111.837 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.81 2.1 55.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.82 0.343 . . . . 1.31 111.545 -176.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.3 p -121.98 43.56 2.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.353 0.596 . . . . 2.69 110.779 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.417 ' O ' ' HB2' ' A' ' 346' ' ' GLN . 57.5 t -91.12 -68.28 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.747 -0.66 . . . . 5.52 110.347 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 345' ' ' VAL . 14.5 mm100 69.23 130.09 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.771 0.669 . . . . 6.73 111.711 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -71.39 141.01 50.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.625 -0.716 . . . . 7.68 111.376 178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . 0.44 ' O ' ' HB2' ' A' ' 349' ' ' GLN . 11.7 p -121.9 36.77 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.923 0.868 . . . . 9.19 109.347 176.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 348' ' ' VAL . 29.1 mm-40 71.13 153.46 0.15 Allowed Pre-proline 0 N--CA 1.467 0.407 0 CA-C-N 114.679 -1.146 . . . . 10.48 111.378 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.3 70.01 1.9 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.104 2.536 . . . . 12.51 113.229 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 351' ' ' ARG . 38.5 mmt180 -135.54 -78.68 0.43 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.356 -0.609 . . . . 14.87 109.356 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' A' ' 354' ' ' GLU . . . 49.47 80.67 0.06 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.008 0.818 . . . . 15.81 112.736 172.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -79.02 26.22 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 17.69 111.211 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 352' ' ' ALA . 42.3 mt-10 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 117.905 -1.045 . . . . 18.81 110.723 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 110.226 -0.287 . . . . 0.29 110.226 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' B' ' 2' ' ' ARG . 16.1 ttp180 -82.12 80.47 8.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.462 0.649 . . . . 0.69 110.098 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.24 151.24 39.96 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.68 -0.691 . . . . 0.95 112.036 -177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.868 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp -134.69 131.66 37.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.886 -0.597 . . . . 0.75 110.224 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -106.11 84.5 2.05 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.198 -0.667 . . . . 2.88 109.198 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.4 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 23.6 p -107.64 178.65 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.722 -0.672 . . . . 1.03 111.02 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.84 132.86 36.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.976 -0.557 . . . . 0.9 110.106 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -66.02 155.33 37.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 3.09 111.196 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -103.38 8.59 38.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.299 0.571 . . . . 3.53 109.824 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.013 -0.994 . . . . 4.45 110.807 179.313 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.117 -0.393 . . . . 7.93 112.117 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 63.81 29.95 14.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.198 0.523 . . . . 6.29 111.238 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 12.6 tpt -139.51 148.15 42.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 6.45 109.871 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 59.83 39.77 20.16 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.417 0.627 . . . . 3.16 110.343 -177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -75.09 162.81 28.2 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.261 -0.881 . . . . 4.62 110.356 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -123.17 153.14 40.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.165 -1.05 . . . . 3.4 108.165 177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.754 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.3 OUTLIER -122.39 137.15 54.96 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.897 0.379 . . . . 1.25 111.229 -178.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.7 139.72 53.47 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.855 -0.611 . . . . 1.11 110.157 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -89.73 13.01 15.35 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.07 -0.715 . . . . 0.49 109.07 174.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.489 ' OE2' ' HE3' ' B' ' 9' ' ' LYS . 0.6 OUTLIER -128.81 138.46 52.08 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.53 108.491 -178.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 42.9 t -71.64 138.2 48.5 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.002 0.43 . . . . 0.21 111.188 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -69.64 -13.08 62.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.996 0.427 . . . . 0.31 111.38 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.623 HG11 ' HB3' ' A' ' 322' ' ' CYS . 78.1 t -83.54 -59.68 2.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.957 -0.565 . . . . 0.31 111.448 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -123.91 8.5 8.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.386 0.513 . . . . 0.34 112.386 -173.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.414 ' HD2' ' O ' ' A' ' 299' ' ' CYS . 26.0 mmm180 57.0 30.64 18.5 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.026 -0.534 . . . . 2.38 111.668 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.656 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.9 t70 -101.65 174.39 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.212 -0.662 . . . . 1.54 109.212 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -121.65 -174.36 14.72 Favored Glycine 0 C--N 1.318 -0.419 0 C-N-CA 120.897 -0.668 . . . . 0.7 111.906 -177.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 116.48 -119.78 4.63 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.314 -0.946 . . . . 0.4 112.364 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.95 87.22 6.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.923 0.392 . . . . 1.91 110.376 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.672 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 83.8 mt -102.3 149.79 23.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.678 -0.692 . . . . 0.24 111.803 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.0 tt -132.48 118.15 34.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.257 -0.883 . . . . 0.21 109.266 172.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.86 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 48.9 t -103.09 147.48 26.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.465 0.65 . . . . 1.36 111.251 -174.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 50.5 t -74.79 153.14 38.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.97 -1.013 . . . . 0.2 111.326 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.52 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 21.5 t0 -60.46 -67.78 0.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.998 0.428 . . . . 0.66 110.862 174.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -80.87 -1.28 89.53 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.162 -0.542 . . . . 0.37 114.258 -173.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 76.6 m -135.54 132.84 19.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.739 0.769 . . . . 1.34 111.263 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 16.0 Cg_exo -66.54 -12.53 36.19 Favored 'Trans proline' 0 N--CA 1.472 0.248 0 C-N-CA 123.856 3.037 . . . . 0.52 113.583 -175.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.32 133.63 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.79 0.329 . . . . 1.3 111.299 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -113.57 153.27 29.08 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.686 -0.857 . . . . 0.14 108.686 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.464 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 39.3 m-85 -134.15 168.0 19.65 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.632 0.254 . . . . 0.21 110.42 -175.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.524 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 52.0 m80 -95.75 145.71 25.1 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 0.18 108.752 169.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.517 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.5 mt -57.01 -51.56 68.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.66 0.267 . . . . 0.27 111.066 -172.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.33 62.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.2 112.132 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.623 ' HB3' HG11 ' A' ' 301' ' ' VAL . 71.0 m -72.17 -20.69 61.56 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.779 0.323 . . . . 0.21 110.926 -178.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.49 155.7 40.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.262 0.553 . . . . 0.2 111.207 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.446 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 24.7 t -141.38 113.76 6.74 Favored Pre-proline 0 C--N 1.318 -0.784 0 CA-C-N 115.21 -0.905 . . . . 0.93 108.967 172.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.51 133.34 29.36 Favored 'Cis proline' 0 C--O 1.233 0.255 0 C-N-CA 123.644 -1.399 . . . . 0.61 112.598 0.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 324' ' ' SER . 17.8 Cg_endo -64.23 142.39 79.66 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 123.068 2.512 . . . . 0.42 112.901 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -92.92 134.99 34.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.397 -0.82 . . . . 1.03 109.688 177.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -89.61 -25.72 21.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.163 0.506 . . . . 3.15 110.094 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -144.59 158.15 43.9 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.59 -0.732 . . . . 1.57 110.343 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 41.2 mm -75.4 122.46 87.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.28 111.439 -175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -56.84 138.1 84.27 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 123.255 2.637 . . . . 0.29 112.62 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 3.0 p -91.96 40.73 1.05 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.689 0.756 . . . . 1.66 110.407 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -172.23 -172.7 38.31 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.254 -0.885 . . . . 0.46 111.02 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 3.5 p -64.53 114.67 4.52 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.303 0.573 . . . . 0.58 111.375 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.443 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.6 t90 -89.4 143.85 26.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.495 -0.775 . . . . 0.29 109.795 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.553 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.8 mtt180 -122.33 136.9 54.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.474 -0.33 . . . . 1.99 110.858 -178.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -79.02 174.46 11.53 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.462 -0.57 . . . . 0.63 109.462 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 49.2 m -53.75 -43.8 69.46 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.137 0.421 . . . . 1.47 112.137 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 35.8 t -60.17 -44.04 95.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.689 0.281 . . . . 1.67 111.14 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 86.0 m -60.71 -40.95 94.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.314 -0.403 . . . . 0.57 111.103 179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 90.1 mt -61.38 -39.93 92.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.396 -0.365 . . . . 0.85 110.376 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -73.06 -19.41 61.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.871 -0.604 . . . . 1.93 111.143 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -90.73 -6.42 54.45 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.078 0.466 . . . . 1.31 110.305 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.498 HG22 HG22 ' A' ' 348' ' ' VAL . 17.1 p -129.05 46.14 2.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.722 -0.672 . . . . 2.69 111.071 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 70.3 t -91.0 -59.27 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.007 -0.542 . . . . 5.52 110.402 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -82.26 61.41 5.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.948 0.404 . . . . 6.73 111.181 -178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 45.44 38.48 3.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.711 1.004 . . . . 7.68 113.711 174.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 344' ' ' THR . 61.7 t 54.97 75.78 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 O-C-N 123.596 0.56 . . . . 9.19 111.6 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 63.8 91.42 0.08 OUTLIER Pre-proline 0 N--CA 1.465 0.321 0 CA-C-N 115.569 -0.741 . . . . 10.48 111.43 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.53 160.8 34.87 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.493 2.129 . . . . 12.51 111.892 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -77.91 83.42 4.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.405 0.621 . . . . 14.87 110.088 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -103.31 58.53 0.75 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.225 -0.898 . . . . 15.81 109.271 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.93 -66.41 0.92 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.073 -0.967 . . . . 17.69 110.264 -172.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.764 -0.636 . . . . 18.81 110.123 176.654 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.1 0 N-CA-C 109.663 -0.495 . . . . 0.29 109.663 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.86 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 35.8 ttm-85 -83.34 70.19 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.381 0.61 . . . . 0.69 109.864 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.67 142.55 49.87 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.579 -0.737 . . . . 0.95 111.427 -175.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.672 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.7 mtpp -132.75 131.5 41.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.885 -0.598 . . . . 0.75 110.235 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -109.35 81.64 1.47 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.268 -0.641 . . . . 2.88 109.268 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.7 p -99.0 -173.37 2.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.761 -0.654 . . . . 1.03 110.923 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.97 134.54 33.7 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 0.9 109.696 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 -61.62 147.57 45.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.15 -0.477 . . . . 3.09 110.738 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 2.4 mmmp? -105.1 168.33 9.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.783 -0.644 . . . . 3.53 110.42 -173.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.5 -0.762 . . . . 4.45 109.89 176.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.682 -0.567 . . . . 7.93 111.682 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -81.08 174.11 11.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.783 0.325 . . . . 6.29 110.379 -179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.5 tpt -149.19 69.4 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.871 -0.789 . . . . 6.45 108.871 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -91.49 78.87 5.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 3.16 110.753 -177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -132.6 68.32 1.5 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.611 0.72 . . . . 4.62 109.437 178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -129.33 104.67 7.64 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.239 -0.891 . . . . 3.4 110.325 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.812 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -139.88 135.37 32.83 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 120.972 0.415 . . . . 1.25 110.598 175.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.505 ' HG3' ' HB2' ' A' ' 315' ' ' PRO . 43.9 mt-10 -83.44 151.05 25.66 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.486 -0.779 . . . . 1.11 109.658 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.538 ' HB3' HG21 ' B' ' 6' ' ' THR . 10.5 m-20 -101.79 19.59 17.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.929 0.395 . . . . 0.49 111.281 -171.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.37 135.94 23.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.533 0.682 . . . . 2.53 110.169 173.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 41.2 t -64.45 137.54 57.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.867 -1.061 . . . . 0.21 111.625 -175.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.533 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -63.53 -20.62 65.77 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.6 -0.727 . . . . 0.31 111.254 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 322' ' ' CYS . 73.5 t -78.43 -67.33 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.946 -0.57 . . . . 0.31 111.856 -178.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.1 p -112.12 0.25 15.84 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.323 0.49 . . . . 0.34 112.323 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 31.2 mmt180 61.46 28.64 17.94 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.292 0.568 . . . . 2.38 111.682 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.778 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.8 t0 -100.32 179.12 4.56 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.448 -0.945 . . . . 1.54 108.448 174.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -133.84 -168.42 11.82 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.751 -0.738 . . . . 0.7 112.026 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.554 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 111.98 -119.84 5.17 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.629 -0.796 . . . . 0.4 112.072 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.46 82.08 3.91 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.241 0.543 . . . . 1.91 110.431 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.635 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 58.8 mt -95.34 150.51 20.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.532 -0.758 . . . . 0.24 111.888 -176.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.8 tt -129.45 114.49 31.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.359 -0.837 . . . . 0.21 109.066 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.727 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.9 m -102.4 148.32 25.63 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.755 -0.657 . . . . 1.36 110.926 -172.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 33.7 t -74.17 152.54 39.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.224 -0.898 . . . . 0.2 111.102 178.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.551 ' HA ' HH21 ' B' ' 2' ' ' ARG . 36.1 t70 -60.34 -67.03 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.166 -0.47 . . . . 0.66 110.856 175.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -73.11 -14.39 78.97 Favored Glycine 0 CA--C 1.521 0.463 0 CA-C-N 115.815 -0.629 . . . . 0.37 114.606 -172.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 28.0 p -136.8 132.25 18.38 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 117.855 0.828 . . . . 1.34 110.312 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.505 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 29.4 Cg_endo -64.05 -4.37 7.48 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.223 2.615 . . . . 0.52 114.264 -175.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -57.4 123.85 16.9 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.969 0.414 . . . . 1.3 110.959 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -106.69 151.46 25.07 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.605 -0.725 . . . . 0.14 109.563 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.587 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 51.9 m-85 -134.27 169.94 16.45 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 120.849 0.357 . . . . 0.21 110.578 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.604 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 39.1 m80 -98.77 146.21 26.14 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.223 -0.658 . . . . 0.18 109.223 170.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.67 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 96.3 mt -54.4 -52.11 62.72 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 123.37 0.419 . . . . 0.27 111.691 -173.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -75.75 -19.76 58.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.943 -0.571 . . . . 0.2 111.85 -176.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.604 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.2 m -77.17 -22.19 52.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.483 -0.326 . . . . 0.21 110.98 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.8 mt -72.04 158.33 36.15 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.004 0.431 . . . . 0.2 111.373 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.3 t -140.5 114.73 7.43 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.854 -0.612 . . . . 0.93 109.512 174.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.518 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.8 Cg_exo -71.39 139.93 61.82 Favored 'Cis proline' 0 C--N 1.344 0.3 0 C-N-CA 123.699 -1.376 . . . . 0.61 111.836 -1.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.518 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.2 Cg_exo -67.91 142.35 56.81 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.969 2.446 . . . . 0.42 112.504 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.67 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -92.35 128.32 38.16 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.846 -0.616 . . . . 1.03 110.406 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -83.12 -22.41 33.36 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.213 0.53 . . . . 3.15 110.131 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.49 158.53 44.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.331 -0.85 . . . . 1.57 110.016 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' B' ' 1' ' ' ALA . 31.3 mm -72.89 126.79 90.36 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.881 -0.6 . . . . 0.28 112.126 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.604 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.4 Cg_endo -64.88 137.2 52.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.909 2.406 . . . . 0.29 112.115 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.2 t -93.2 52.44 1.79 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.607 -0.724 . . . . 1.66 110.5 -171.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.68 -170.58 39.39 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 110.851 -0.9 . . . . 0.46 110.851 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 13.6 p -65.74 120.46 13.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.296 0.569 . . . . 0.58 110.51 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.435 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -100.45 145.69 27.94 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.835 -0.621 . . . . 0.29 110.0 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.668 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.6 mtt180 -124.91 137.26 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.689 0.281 . . . . 1.99 110.666 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 21.7 p -77.75 177.85 7.83 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.179 -0.464 . . . . 0.63 110.234 178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 10.2 m -56.65 -46.53 81.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.668 -0.242 . . . . 1.47 111.157 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 48.9 m -57.24 -42.8 82.13 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.579 -0.282 . . . . 1.67 111.278 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 84.8 m -61.36 -43.36 99.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.848 0.356 . . . . 0.57 111.05 179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.53 -38.81 71.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.245 0.545 . . . . 0.85 110.29 -178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -60.11 -26.92 66.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.23 -0.896 . . . . 1.93 111.087 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -78.59 4.76 12.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 1.31 111.306 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 22.9 p -132.48 30.88 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.884 0.85 . . . . 2.69 109.832 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 85.3 t -125.28 -41.48 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.507 -1.224 . . . . 5.52 110.513 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -62.2 154.33 27.72 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.676 -0.693 . . . . 6.73 111.218 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.61 83.92 1.73 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.464 0.65 . . . . 7.68 109.757 177.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 10.8 p -163.02 30.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 122.722 1.248 . . . . 9.19 107.851 177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.56 135.67 32.21 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 114.002 -1.454 . . . . 10.48 110.543 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -57.7 118.33 5.18 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.634 2.223 . . . . 12.51 110.478 171.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -54.84 -32.79 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.51 -0.768 . . . . 14.87 111.355 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . 44.95 57.75 4.45 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 124.029 0.83 . . . . 15.81 111.856 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -65.0 157.58 27.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.777 -0.647 . . . . 17.69 111.262 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 354' ' ' GLU . 11.0 pt-20 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.6 -0.727 . . . . 18.81 110.318 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.604 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.619 0.247 . . . . 0.29 110.4 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 35.0 ttm-85 -77.25 85.74 3.69 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.69 110.107 -174.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.53 139.7 30.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.785 0.326 . . . . 0.95 110.96 -173.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.717 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.8 mtpp -125.99 136.38 52.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.002 -0.545 . . . . 0.75 110.354 -179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -104.95 74.1 1.1 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.21 -1.033 . . . . 2.88 108.21 169.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.554 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 0.9 OUTLIER -95.14 174.2 7.18 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.373 -0.83 . . . . 1.03 111.264 -170.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.435 ' H ' HG22 ' B' ' 6' ' ' THR . . . -70.76 135.24 48.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.9 110.261 174.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtm180 -74.03 152.95 39.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.366 -0.379 . . . . 3.09 110.499 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.778 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 31.3 mmtp -113.57 22.38 14.17 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.14 -0.689 . . . . 3.53 109.14 -176.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.952 0 CA-C-N 114.938 -1.028 . . . . 4.45 110.557 -179.182 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.601 -0.6 . . . . 7.93 111.601 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -102.28 11.27 38.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 6.29 110.735 179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 21.7 mmt -92.74 58.31 3.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 6.45 110.392 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -148.4 -175.0 4.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.763 -1.108 . . . . 3.16 108.964 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -80.63 167.3 20.21 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.222 -0.658 . . . . 4.62 109.222 175.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -125.46 141.22 52.17 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.406 -0.961 . . . . 3.4 108.406 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.729 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 6.5 p30 -117.71 135.99 53.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.3 0.572 . . . . 1.25 110.412 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -81.11 143.1 32.66 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.508 -0.769 . . . . 1.11 109.965 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.512 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.5 m-20 -87.21 11.83 13.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.898 0.333 . . . . 0.49 111.898 -173.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.82 145.81 35.14 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.447 0.642 . . . . 2.53 110.576 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.5 t -75.52 137.43 40.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.566 -1.197 . . . . 0.21 111.745 -175.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.02 -14.77 62.25 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.637 -0.71 . . . . 0.31 111.481 179.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.639 HG11 ' HB3' ' A' ' 322' ' ' CYS . 74.3 t -82.55 -64.56 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.31 111.749 -178.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' ' 304' ' ' ASP . 4.3 p -114.37 5.65 15.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.524 0.565 . . . . 0.34 112.524 -173.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 62.15 20.95 12.08 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.509 0.671 . . . . 2.38 110.79 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.637 ' HB2' ' SG ' ' A' ' 302' ' ' CYS . 0.2 OUTLIER -92.02 164.21 13.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.368 -0.833 . . . . 1.54 110.661 -179.063 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.699 ' H ' ' H ' ' B' ' 9' ' ' LYS . . . -114.51 -175.37 18.72 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 110.768 -0.933 . . . . 0.7 110.768 175.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.412 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 123.65 -136.03 10.13 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.335 -0.936 . . . . 0.4 111.911 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.46 91.56 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.044 0.449 . . . . 1.91 110.148 177.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.855 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 77.0 mt -100.07 149.31 23.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.829 -0.623 . . . . 0.24 111.954 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.611 HG13 ' HB1' ' B' ' 1' ' ' ALA . 6.2 tt -128.89 108.3 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.169 -0.923 . . . . 0.21 109.371 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.823 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.1 t -95.84 147.55 23.53 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.361 0.601 . . . . 1.36 111.255 -176.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.9 t -74.99 155.64 37.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.029 -0.987 . . . . 0.2 111.47 -178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 17.9 t70 -59.92 -68.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.207 -0.451 . . . . 0.66 111.163 174.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.48 -4.04 86.11 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.845 -0.693 . . . . 0.37 113.671 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.447 ' HA ' ' HD3' ' A' ' 315' ' ' PRO . 72.0 m -129.23 132.63 24.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.276 0.538 . . . . 1.34 110.999 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 14.1 Cg_exo -67.0 -15.84 47.94 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.497 2.798 . . . . 0.52 113.785 -173.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.453 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 88.6 mtt180 -59.44 129.86 44.06 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.062 0.458 . . . . 1.3 111.771 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -107.28 148.7 28.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.402 -0.817 . . . . 0.14 108.826 171.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.482 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 38.0 m-85 -131.96 171.4 13.62 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.724 0.297 . . . . 0.21 110.322 -177.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.542 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.3 m80 -100.47 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.208 -0.664 . . . . 0.18 109.208 170.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.676 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 73.7 mt -54.08 -55.27 29.11 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.905 0.383 . . . . 0.27 111.623 -174.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.9 -20.77 61.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.637 -0.711 . . . . 0.2 112.135 -175.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.639 ' HB3' HG11 ' A' ' 301' ' ' VAL . 74.5 m -78.74 -25.5 44.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.609 0.242 . . . . 0.21 111.563 -177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.471 HD13 HD23 ' A' ' 327' ' ' LEU . 38.1 mt -65.5 160.29 22.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.017 0.437 . . . . 0.2 111.603 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 23.2 t -139.05 110.95 7.87 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.099 -0.5 . . . . 0.93 109.864 174.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 11.9 Cg_exo -71.85 144.79 81.15 Favored 'Cis proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.695 -1.377 . . . . 0.61 112.249 -1.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 10.1 Cg_exo -67.96 138.1 43.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.967 2.445 . . . . 0.42 112.241 -177.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.676 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.6 mm? -85.65 127.88 34.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.139 -0.482 . . . . 1.03 109.791 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -84.82 -18.57 34.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.404 0.621 . . . . 3.15 110.436 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -141.66 158.52 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.083 -0.962 . . . . 1.57 110.435 -172.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.484 HD13 HD21 ' A' ' 320' ' ' LEU . 31.1 mm -81.78 114.02 47.09 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.162 -0.472 . . . . 0.28 110.059 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -63.61 133.08 37.95 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 122.848 2.365 . . . . 0.29 112.369 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 15.4 t -90.48 59.99 4.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.622 0.725 . . . . 1.66 109.865 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 179.08 -168.37 39.12 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.313 -0.858 . . . . 0.46 111.26 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.64 115.01 6.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.047 0.451 . . . . 0.58 110.871 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.549 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 84.2 t90 -96.56 147.08 24.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.237 -0.438 . . . . 0.29 110.048 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.564 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 97.2 mtt180 -124.94 134.21 52.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 1.99 111.098 -177.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.7 p -78.68 175.08 10.75 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 116.198 -0.455 . . . . 0.63 109.966 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 19.6 m -52.07 -42.3 63.05 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.917 0.34 . . . . 1.47 111.917 -177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.8 m -55.71 -49.22 73.6 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.825 0.345 . . . . 1.67 111.572 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 82.1 m -65.98 -43.37 88.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.57 110.643 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.14 -33.33 74.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.063 -0.517 . . . . 0.85 111.131 -178.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -72.54 -28.61 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.906 -0.588 . . . . 1.93 111.406 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -88.6 11.85 16.24 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.14 0.422 . . . . 1.31 112.14 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 23.4 p -79.75 41.86 0.51 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.357 0.599 . . . . 2.69 111.708 -178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 346' ' ' GLN . 12.5 t -103.84 -6.02 9.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.947 -0.57 . . . . 5.52 110.16 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 345' ' ' VAL . 28.6 mt-30 71.45 145.79 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.319 -0.855 . . . . 6.73 110.885 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -88.1 86.05 7.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.164 -0.471 . . . . 7.68 110.376 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 10.4 p 39.52 67.4 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-O 122.229 1.014 . . . . 9.19 111.701 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -128.85 86.87 56.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.276 -0.874 . . . . 10.48 110.515 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -72.72 104.55 1.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.372 2.048 . . . . 12.51 111.381 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -124.24 122.84 38.85 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.103 -0.499 . . . . 14.87 111.232 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.48 66.95 7.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.768 -0.651 . . . . 15.81 110.106 176.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -80.98 150.46 28.9 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.21 -1.033 . . . . 17.69 108.21 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.361 -0.828 . . . . 18.81 109.319 -167.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.611 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.879 -0.415 . . . . 0.29 109.879 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.823 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 33.7 ttm-85 -82.84 76.04 9.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.234 0.54 . . . . 0.69 109.918 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 13.6 p -76.79 148.36 36.67 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.686 0.624 . . . . 0.95 112.686 -172.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.855 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 29.3 mtpp -133.87 153.73 51.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.177 -0.92 . . . . 0.75 109.245 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -131.68 71.86 1.48 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.126 0.489 . . . . 2.88 110.142 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.412 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 41.9 p -92.71 -176.62 4.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.684 -0.689 . . . . 1.03 110.933 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.81 137.59 38.51 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.168 -0.469 . . . . 0.9 109.774 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 305' ' ' GLY . 87.2 mtt180 -67.41 102.24 1.08 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 3.09 111.75 -177.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.699 ' H ' ' H ' ' A' ' 305' ' ' GLY . 4.2 ttmp? 77.82 113.16 0.07 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 114.316 -1.311 . . . . 3.53 111.509 173.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.505 -0.76 . . . . 4.45 109.748 175.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . 0.752 ' HA3' ' OD1' ' A' ' 312' ' ' ASP . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 112.15 -0.38 . . . . 7.93 112.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -61.03 117.74 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.102 0.408 . . . . 6.29 112.102 -176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 66.7 mtt 66.83 18.44 10.66 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.702 -0.681 . . . . 6.45 112.132 172.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . 50.63 48.98 21.76 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.242 0.544 . . . . 3.16 110.358 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -69.1 134.97 50.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 4.62 110.662 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -71.42 149.34 46.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.376 -0.829 . . . . 3.4 110.838 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.778 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 4.3 p30 -102.08 136.51 41.78 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.863 -0.608 . . . . 1.25 110.341 176.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.414 ' O ' ' HE2' ' B' ' 4' ' ' LYS . 39.1 mt-10 -77.79 145.84 36.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.571 -0.529 . . . . 1.11 109.571 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.613 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 40.6 m-20 -91.16 35.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 121.054 -0.258 . . . . 0.49 110.66 -175.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.48 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 0.2 OUTLIER -141.88 153.98 44.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.412 0.625 . . . . 2.53 111.161 177.492 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.639 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 39.8 t -88.83 136.43 33.01 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.823 -1.08 . . . . 0.21 109.443 169.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.617 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -66.23 -14.25 61.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.022 0.439 . . . . 0.31 111.476 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.504 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -79.28 -56.98 5.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.838 -0.619 . . . . 0.31 111.213 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.9 p -123.01 6.19 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.191 0.811 . . . . 0.34 113.191 -172.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 58.89 33.04 22.8 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.098 0.475 . . . . 2.38 111.543 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.721 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 3.9 t70 -114.37 177.69 4.55 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.586 -0.524 . . . . 1.54 109.586 -178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -126.82 -167.74 12.43 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.082 -0.58 . . . . 0.7 111.958 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 115.3 -119.74 4.72 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.034 -1.079 . . . . 0.4 111.984 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -80.97 85.61 6.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.314 0.578 . . . . 1.91 110.176 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.919 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 92.9 mt -102.55 142.67 33.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.318 -0.855 . . . . 0.24 111.907 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 7.4 tt -123.42 116.86 49.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.312 -0.858 . . . . 0.21 109.011 171.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 52.7 t -105.17 144.07 32.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.19 0.519 . . . . 1.36 111.37 -173.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 40.6 t -74.84 142.27 44.17 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.167 -0.924 . . . . 0.2 109.336 177.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.752 ' OD1' ' HA3' ' A' ' 289' ' ' GLY . 12.1 t70 -61.16 -64.79 0.83 Allowed 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.414 -0.515 . . . . 0.66 111.478 179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.85 -3.16 59.0 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.111 -0.566 . . . . 0.37 114.399 -175.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 95.0 m -136.59 127.19 16.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 117.685 0.742 . . . . 1.34 110.743 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.412 ' HB2' ' HG3' ' A' ' 296' ' ' GLU . 47.3 Cg_endo -66.48 -10.39 27.61 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.211 2.607 . . . . 0.52 113.735 -171.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.617 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 25.6 mtt180 -63.33 136.45 57.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.121 0.486 . . . . 1.3 111.524 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.639 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -114.29 162.6 16.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.583 -0.735 . . . . 0.14 109.138 174.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.49 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 56.0 m-85 -142.55 165.89 26.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.638 0.256 . . . . 0.21 110.534 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.496 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 44.8 m80 -96.47 146.48 24.75 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.29 -0.633 . . . . 0.18 109.29 171.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 65.5 mt -56.57 -52.06 66.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.03 0.206 . . . . 0.27 111.288 -173.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.37 -19.87 57.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.245 0.461 . . . . 0.2 112.245 -176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 73.5 m -79.15 -18.8 52.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.059 0.457 . . . . 0.21 110.66 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 60.6 mt -76.76 152.2 35.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.081 0.467 . . . . 0.2 110.844 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 15.0 t -140.44 113.01 7.25 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.658 -0.701 . . . . 0.93 109.267 174.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -71.06 137.75 48.57 Favored 'Cis proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.284 -1.548 . . . . 0.61 112.576 0.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -67.85 147.84 75.63 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.88 2.386 . . . . 0.42 112.079 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -95.62 123.78 39.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.183 0.516 . . . . 1.03 110.732 178.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' A' ' 328' ' ' ARG . 11.5 ptp180 -78.95 -27.07 43.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 3.15 110.77 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -142.28 154.17 44.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.632 -0.713 . . . . 1.57 109.655 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.41 ' CD1' HD21 ' A' ' 320' ' ' LEU . 25.4 mm -79.2 119.31 76.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 121.113 0.483 . . . . 0.28 111.699 -177.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 11.3 Cg_endo -63.13 139.11 70.95 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.951 2.434 . . . . 0.29 112.169 178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 9.8 t -98.13 48.4 1.0 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.401 0.619 . . . . 1.66 110.189 -174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.37 -169.74 27.26 Favored Glycine 0 N--CA 1.445 -0.746 0 CA-C-N 115.435 -0.802 . . . . 0.46 111.124 177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.1 p -66.88 108.5 2.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.247 0.546 . . . . 0.58 110.754 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.489 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.9 t90 -88.81 142.53 27.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.03 -0.532 . . . . 0.29 109.755 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.506 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 79.1 mtt180 -114.92 133.26 56.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.037 -0.529 . . . . 1.99 110.635 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 28.5 p -78.19 176.42 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.974 -0.38 . . . . 0.63 109.974 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.8 m -51.57 -45.86 63.24 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.18 0.3 . . . . 1.47 111.76 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 5.3 m -56.43 -46.72 80.14 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.241 -0.436 . . . . 1.67 111.176 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 88.8 m -66.88 -42.72 85.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.986 -0.552 . . . . 0.57 111.441 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.26 -33.08 73.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.095 0.474 . . . . 0.85 111.046 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.77 -8.25 56.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.876 -0.602 . . . . 1.93 111.144 -178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -98.94 13.13 33.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.758 0.314 . . . . 1.31 111.077 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 3.0 p -130.99 84.99 2.23 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.285 -0.416 . . . . 2.69 109.939 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 23.5 t -89.83 -24.14 5.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.977 -0.556 . . . . 5.52 111.031 -173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -83.14 61.65 6.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.494 0.664 . . . . 6.73 110.328 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -120.99 149.83 42.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.078 -0.965 . . . . 7.68 109.061 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . 0.429 ' O ' ' HB3' ' A' ' 349' ' ' GLN . 8.1 p -144.74 22.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.357 0.599 . . . . 9.19 110.387 -177.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.53 ' HG2' ' HG2' ' A' ' 351' ' ' ARG . 57.7 tt0 70.51 107.87 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.459 0 CA-C-N 115.362 -0.836 . . . . 10.48 110.294 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.49 53.39 4.29 Favored 'Trans proline' 0 N--CA 1.463 -0.32 0 C-N-CA 122.864 2.376 . . . . 12.51 113.729 -174.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.53 ' HG2' ' HG2' ' A' ' 349' ' ' GLN . 2.6 mmp_? -83.66 4.68 27.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.935 0.398 . . . . 14.87 111.12 174.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -108.86 82.92 1.67 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.281 -0.637 . . . . 15.81 109.281 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -83.76 105.13 14.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.024 -0.535 . . . . 17.69 110.353 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.623 -0.703 . . . . 18.81 110.212 -179.216 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 109.95 -0.389 . . . . 0.29 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.412 ' HG2' HD22 ' A' ' 295' ' ' ASN . 23.7 ttp180 -80.25 83.46 6.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.195 0.521 . . . . 0.69 109.885 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -83.21 147.26 28.12 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.425 0.631 . . . . 0.95 112.548 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.919 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.8 mtpp -130.71 141.18 50.38 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.252 -0.885 . . . . 0.75 110.027 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -120.05 62.75 0.83 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.304 0.573 . . . . 2.88 109.686 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.466 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 11.7 p -85.04 177.62 7.85 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.608 -0.724 . . . . 1.03 110.975 -177.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.57 143.87 26.98 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.531 -0.914 . . . . 0.9 108.531 172.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -63.06 151.39 40.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.96 0.41 . . . . 3.09 110.651 -176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.721 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 29.3 mmtp -99.49 21.64 11.91 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.789 -0.641 . . . . 3.53 110.48 -174.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.589 -0.732 . . . . 4.45 109.853 176.584 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.994 -0.442 . . . . 7.93 111.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -136.62 61.94 1.62 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.059 0.457 . . . . 6.29 110.587 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 21.6 mmt -64.5 144.88 56.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.779 -0.646 . . . . 6.45 109.863 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -132.03 91.75 3.01 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.17 -0.468 . . . . 3.16 110.217 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.188 -0.671 . . . . 4.62 109.188 177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 315' ' ' PRO . 31.1 mmtp -119.22 117.67 29.24 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.106 -0.702 . . . . 3.4 109.106 -177.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.745 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -143.36 134.71 26.04 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-O 120.953 0.406 . . . . 1.25 110.47 -179.327 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.45 140.89 57.12 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.599 -0.728 . . . . 1.11 110.401 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.93 7.74 35.85 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.233 -0.654 . . . . 0.49 109.233 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 304' ' ' ASP . 3.1 mp0 -131.65 142.67 49.91 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 108.533 -0.914 . . . . 2.53 108.533 173.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.601 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 38.0 t -69.14 138.19 53.99 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.403 -0.817 . . . . 0.21 110.314 178.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.419 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -59.85 -24.09 63.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.148 0.499 . . . . 0.31 111.013 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.563 HG11 ' HB3' ' A' ' 322' ' ' CYS . 72.9 t -75.35 -65.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.498 -0.774 . . . . 0.31 111.592 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.7 p -114.54 3.72 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.942 0.719 . . . . 0.34 112.942 -170.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.427 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 29.4 mmm180 56.95 32.88 22.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 122.826 0.45 . . . . 2.38 111.281 -179.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.607 ' O ' ' HA ' ' A' ' 298' ' ' GLU . 1.2 t70 -104.03 178.12 4.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.636 -0.505 . . . . 1.54 109.636 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.94 -171.89 13.59 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.462 -0.875 . . . . 0.7 112.335 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 115.8 -125.71 6.79 Favored Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 120.743 -0.741 . . . . 0.4 112.167 178.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -81.98 84.89 6.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.402 0.62 . . . . 1.91 110.567 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.595 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -95.9 146.51 24.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.175 -0.921 . . . . 0.24 111.935 -175.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.408 HG13 ' HB1' ' B' ' 1' ' ' ALA . 8.1 tt -124.64 112.16 31.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.105 -0.952 . . . . 0.21 109.165 171.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 1.7 m -101.89 148.79 24.9 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.926 -0.579 . . . . 1.36 110.399 -173.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.7 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 41.8 t -74.32 150.85 39.95 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.849 -0.614 . . . . 0.2 110.98 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.488 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.9 t70 -61.21 -67.1 0.44 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.263 -0.426 . . . . 0.66 110.885 175.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.4 -14.04 74.25 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 114.934 0.734 . . . . 0.37 114.934 -172.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.531 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 16.3 p -136.44 134.04 19.6 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 118.027 0.914 . . . . 1.34 110.507 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 294' ' ' LYS . 31.4 Cg_endo -62.31 -6.93 9.2 Favored 'Trans proline' 0 N--CA 1.475 0.426 0 C-N-CA 123.777 2.984 . . . . 0.52 114.814 -173.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -62.42 131.89 50.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.88 0.371 . . . . 1.3 111.843 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -111.3 155.25 23.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 0.14 109.347 175.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.601 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 50.5 m-85 -138.76 167.24 22.42 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.918 0.39 . . . . 0.21 110.961 -177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.602 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 43.9 m80 -98.41 145.71 26.46 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.605 -0.887 . . . . 0.18 108.605 168.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 83.1 mt -53.65 -52.13 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.943 0.349 . . . . 0.27 111.943 -173.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.443 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -74.08 -23.24 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.96 -0.564 . . . . 0.2 112.081 -176.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 76.4 m -75.83 -23.5 55.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.871 0.367 . . . . 0.21 110.861 -176.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.0 157.1 34.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.153 -0.476 . . . . 0.2 111.45 175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 30.8 t -139.47 113.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.009 -0.542 . . . . 0.93 109.636 173.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.5 Cg_exo -69.46 141.78 66.51 Favored 'Cis proline' 0 C--N 1.345 0.349 0 C-N-CA 123.734 -1.361 . . . . 0.61 112.165 -1.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 13.3 Cg_exo -67.27 143.65 65.24 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.759 2.306 . . . . 0.42 112.487 -178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 67.7 mt -89.33 135.89 33.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.762 -0.654 . . . . 1.03 110.623 179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.87 -21.79 17.28 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.14 0.495 . . . . 3.15 110.16 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -141.49 161.16 38.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.464 -0.789 . . . . 1.57 110.419 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.403 ' CD1' HD21 ' A' ' 320' ' ' LEU . 23.9 mm -86.91 118.35 69.96 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.199 -0.455 . . . . 0.28 111.167 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.659 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 16.3 Cg_endo -66.14 138.68 52.71 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.665 2.243 . . . . 0.29 112.312 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 47.3 m -98.27 47.27 1.0 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.464 0.649 . . . . 1.66 110.635 -174.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -165.19 -170.2 29.82 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.489 -0.778 . . . . 0.46 111.3 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 12.2 p -66.82 109.85 3.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.215 0.531 . . . . 0.58 110.917 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.433 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 75.1 t90 -94.91 146.85 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.024 -0.535 . . . . 0.29 110.363 -178.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.7 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 52.4 mtt-85 -124.9 137.36 54.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.038 -0.528 . . . . 1.99 111.107 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 17.3 p -80.86 178.51 8.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.63 109.962 177.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.6 p -55.71 -46.72 77.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.781 0.324 . . . . 1.47 111.16 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 1.4 m -56.37 -45.47 80.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.967 -0.56 . . . . 1.67 111.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . . . . . . . . . 84.1 m -66.3 -40.06 89.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.33 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 94.8 mt -62.57 -26.01 68.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.009 0.433 . . . . 0.85 110.709 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 342' ' ' GLN . 46.7 tt0 -97.11 12.28 33.26 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.41 0.624 . . . . 1.93 110.489 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -97.44 -1.33 44.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.005 0.431 . . . . 1.31 110.676 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 17.4 p -100.31 165.46 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.818 -0.628 . . . . 2.69 110.432 176.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 2.9 t -105.87 -3.2 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.002 0.43 . . . . 5.52 110.326 -173.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 64.28 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.199 -0.909 . . . . 6.73 111.536 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -128.19 94.4 3.9 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.888 -0.412 . . . . 7.68 109.888 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 8.1 p -111.4 22.56 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.472 0.653 . . . . 9.19 110.274 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 52.94 90.06 0.09 OUTLIER Pre-proline 0 CA--C 1.53 0.182 0 CA-C-N 115.082 -0.963 . . . . 10.48 111.035 -172.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.19 144.67 57.85 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.394 2.062 . . . . 12.51 111.534 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.79 37.35 4.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.044 0.449 . . . . 14.87 110.26 -178.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -64.19 115.04 4.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.626 -0.715 . . . . 15.81 110.667 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -79.91 120.45 24.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.027 -0.533 . . . . 17.69 109.836 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.38 -0.819 . . . . 18.81 109.665 -175.384 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.659 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 109.773 -0.454 . . . . 0.29 109.773 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.745 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 43.8 ttm-85 -78.93 82.6 5.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.194 -0.457 . . . . 0.69 110.483 -174.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.1 p -81.97 137.47 35.13 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 111.928 0.344 . . . . 0.95 111.928 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.2 mtpp -119.66 132.48 55.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.983 -0.553 . . . . 0.75 110.699 177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -100.37 77.34 1.93 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.164 -0.68 . . . . 2.88 109.164 175.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.439 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 23.0 p -101.68 171.21 7.69 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.953 -0.567 . . . . 1.03 111.024 -177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.19 141.55 32.93 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.877 -0.602 . . . . 0.9 109.51 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -69.0 151.38 46.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.332 -0.394 . . . . 3.09 110.218 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -121.34 -177.0 3.41 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.265 -0.425 . . . . 3.53 111.89 -166.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.75 -0.643 . . . . 4.45 109.348 178.093 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.049 -0.42 . . . . 7.93 112.049 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -116.09 -170.05 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.879 -0.415 . . . . 6.29 109.879 178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 25.6 mmt 63.65 27.43 14.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.558 0.694 . . . . 6.45 110.253 -176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -121.27 95.42 4.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.101 -0.954 . . . . 3.16 109.419 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -153.84 92.18 1.53 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.203 -0.665 . . . . 4.62 109.203 -177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -131.82 150.96 51.99 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.723 -0.671 . . . . 3.4 109.77 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.74 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 1.1 p30 -141.38 133.46 27.75 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.147 0.499 . . . . 1.25 109.89 178.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -79.95 156.77 27.08 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.557 -0.747 . . . . 1.11 109.764 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.9 11.39 33.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.671 0.272 . . . . 0.49 110.78 -173.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.638 ' HB3' ' HG3' ' B' ' 9' ' ' LYS . 0.0 OUTLIER -137.97 143.43 40.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.434 0.635 . . . . 2.53 110.514 174.659 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.726 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 40.4 t -70.53 138.29 50.86 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.95 -1.023 . . . . 0.21 110.98 -179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.402 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.24 -11.21 38.74 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.65 -0.705 . . . . 0.31 111.256 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.505 HG11 ' HB3' ' A' ' 322' ' ' CYS . 88.1 t -88.85 -66.97 0.78 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.107 -0.497 . . . . 0.31 111.612 -178.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 12.0 p -108.67 7.76 26.64 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.575 0.583 . . . . 0.34 112.575 -174.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 28.0 mmt180 57.09 33.24 23.02 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.312 0.486 . . . . 2.38 112.312 176.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.796 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 2.6 t0 -121.47 174.19 6.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.654 -0.498 . . . . 1.54 109.654 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.05 -172.01 16.53 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.022 -0.609 . . . . 0.7 111.688 -176.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.65 -132.14 8.09 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.717 -0.754 . . . . 0.4 111.734 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.14 79.03 1.25 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.305 0.574 . . . . 1.91 110.246 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.671 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 59.6 mt -91.51 151.85 20.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.165 -0.925 . . . . 0.24 111.313 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.441 HG13 ' HB1' ' B' ' 1' ' ' ALA . 9.8 tt -132.53 106.09 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.441 -0.8 . . . . 0.21 109.064 173.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.929 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 42.0 t -89.81 146.29 24.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.355 -0.839 . . . . 1.36 111.495 -173.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.582 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.5 t -74.65 154.2 38.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.117 -0.947 . . . . 0.2 111.16 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.459 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.9 t70 -60.24 -69.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.413 -0.358 . . . . 0.66 111.279 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.25 -4.38 89.66 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.023 -0.608 . . . . 0.37 113.884 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 72.5 m -128.38 127.41 23.67 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 117.132 0.466 . . . . 1.34 110.633 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.36 -11.32 29.7 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.088 2.525 . . . . 0.52 113.798 -175.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -59.14 129.01 40.05 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.05 0.452 . . . . 1.3 111.199 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.726 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.48 145.94 39.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.444 -0.798 . . . . 0.14 108.912 175.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.474 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 57.8 m-85 -127.36 163.45 23.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.777 0.322 . . . . 0.21 111.407 -174.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.558 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 41.1 m80 -90.07 145.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.188 -0.671 . . . . 0.18 109.188 170.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . . . . . . . . . 84.8 mt -56.27 -53.99 50.68 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.169 -0.212 . . . . 0.27 111.394 -173.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -69.86 -24.21 63.39 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.158 -0.473 . . . . 0.2 111.886 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.558 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 71.5 m -74.67 -23.99 58.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.449 -0.341 . . . . 0.21 111.044 -179.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 38.6 mt -73.09 159.18 33.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.116 0.484 . . . . 0.2 111.962 177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 30.7 t -140.0 114.41 7.74 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.508 -0.769 . . . . 0.93 109.712 174.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.512 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 12.5 Cg_exo -71.86 143.67 77.64 Favored 'Cis proline' 0 C--N 1.344 0.318 0 C-N-CA 123.728 -1.364 . . . . 0.61 111.913 -2.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.1 Cg_exo -72.21 123.76 9.45 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.662 2.241 . . . . 0.42 112.079 -179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.22 131.47 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 1.03 110.123 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -85.19 -25.79 27.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.204 0.526 . . . . 3.15 109.918 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.48 159.28 42.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.474 -0.785 . . . . 1.57 110.027 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 30.0 mm -77.17 116.71 59.76 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.191 0.519 . . . . 0.28 111.538 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -68.7 138.0 40.21 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.926 2.417 . . . . 0.29 113.583 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.9 t -94.89 109.86 21.81 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.181 -0.918 . . . . 1.66 109.158 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 142.03 -170.88 24.76 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.856 -0.687 . . . . 0.46 111.583 -174.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 10.6 p -81.12 102.2 10.11 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.16 0.505 . . . . 0.58 111.012 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.582 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 90.5 t90 -85.5 142.37 29.24 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.963 -0.562 . . . . 0.29 109.612 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.574 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 20.4 mtm180 -125.74 137.85 53.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.843 -0.617 . . . . 1.99 111.121 -175.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.5 172.97 10.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.365 -0.38 . . . . 0.63 110.215 174.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.9 m -54.53 -43.73 72.19 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.939 0.348 . . . . 1.47 111.939 -175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 37.6 t -56.36 -48.25 77.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.502 -0.317 . . . . 1.67 111.242 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 91.3 m -61.99 -41.54 98.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.57 111.02 -178.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' A' ' 336' ' ' ARG . 84.6 mt -68.91 -40.64 79.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.85 110.962 -178.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -75.79 -23.24 55.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 1.93 111.105 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -80.6 19.51 0.81 Allowed 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.102 0.477 . . . . 1.31 111.545 -177.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 18.7 p -84.69 -164.1 0.92 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 2.69 110.423 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.71 -21.13 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.16 0.505 . . . . 5.52 110.505 177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -56.4 -52.28 65.19 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.747 -0.66 . . . . 6.73 110.568 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.633 ' OE2' ' HA ' ' A' ' 350' ' ' PRO . 33.6 tt0 -137.5 105.12 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.368 0.604 . . . . 7.68 109.896 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.76 16.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.881 0.848 . . . . 9.19 110.148 -175.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -154.48 78.42 5.13 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.978 -1.01 . . . . 10.48 109.367 174.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . 0.633 ' HA ' ' OE2' ' A' ' 347' ' ' GLU . 33.8 Cg_endo -65.68 123.6 11.6 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 123.121 2.547 . . . . 12.51 112.105 -174.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.476 ' NE ' ' HA ' ' A' ' 351' ' ' ARG . 5.4 mmp_? -111.51 32.04 5.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.163 -0.472 . . . . 14.87 111.547 -175.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -76.81 149.2 36.24 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.498 -0.556 . . . . 15.81 109.498 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 63.26 16.78 9.72 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.477 0.485 . . . . 17.69 111.799 -178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . 0.414 ' CD ' ' HD3' ' A' ' 351' ' ' ARG . 35.7 tt0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.361 -0.828 . . . . 18.81 109.48 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.441 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.877 -0.416 . . . . 0.29 109.877 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.929 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 28.1 ttm-85 -87.27 73.54 9.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.0 0.429 . . . . 0.69 110.251 -173.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.63 144.12 49.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.945 -0.571 . . . . 0.95 111.585 -176.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.74 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 49.9 mtpt -135.54 162.03 33.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.041 -0.527 . . . . 0.75 110.134 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -117.37 -55.25 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.914 -0.585 . . . . 2.88 109.723 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 21.5 p 49.69 -170.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.901 1.074 . . . . 1.03 113.901 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.11 149.15 25.48 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.705 -1.134 . . . . 0.9 108.312 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -84.28 155.52 22.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.31 0.576 . . . . 3.09 110.998 -173.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.796 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 31.8 mmmt -97.25 21.23 10.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.514 -0.766 . . . . 3.53 110.294 -172.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.338 -0.839 . . . . 4.45 110.397 179.567 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.825 0 N-CA-C 112.19 -0.364 . . . . 7.93 112.19 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -75.44 -19.25 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.381 0.61 . . . . 6.29 109.955 176.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 87.5 mtp -95.81 161.35 14.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.151 -0.931 . . . . 6.45 109.111 173.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -95.32 9.49 39.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.651 0.262 . . . . 3.16 111.431 -174.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -150.68 141.16 22.48 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.719 0.295 . . . . 4.62 110.571 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -146.51 145.39 30.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.05 -0.523 . . . . 3.4 109.622 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.653 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -135.59 135.2 40.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.288 -0.415 . . . . 1.25 109.959 177.644 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.508 ' OE2' ' HG2' ' A' ' 316' ' ' ARG . 21.1 mt-10 -71.03 151.9 44.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.011 -0.54 . . . . 1.11 111.052 -177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -99.9 8.02 44.44 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.113 0.482 . . . . 0.49 109.985 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.48 ' HB2' ' HD3' ' A' ' 303' ' ' ARG . 1.1 mp0 -135.81 140.64 44.39 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.83 -0.804 . . . . 2.53 108.83 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.574 ' SG ' ' HB ' ' A' ' 301' ' ' VAL . 43.1 t -63.96 137.07 57.84 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.843 -0.617 . . . . 0.21 110.463 178.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.652 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -69.12 -13.04 62.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.092 0.473 . . . . 0.31 111.244 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.2 t -76.58 -59.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.722 -0.672 . . . . 0.31 111.231 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 11.2 p -127.12 3.81 6.45 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.81 0.67 . . . . 0.34 112.81 -173.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.48 ' HD3' ' HB2' ' A' ' 298' ' ' GLU . 24.8 mmt180 57.79 39.74 26.8 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.54 0.57 . . . . 2.38 112.54 178.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.681 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.7 t0 -107.18 178.18 4.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.162 -1.051 . . . . 1.54 108.162 171.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -123.57 -177.01 14.94 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.659 -0.781 . . . . 0.7 112.105 -175.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 124.88 -128.76 6.8 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.939 -0.648 . . . . 0.4 112.068 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.54 84.29 2.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 1.91 110.607 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.547 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -91.99 138.48 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.559 . . . . 0.24 112.069 -176.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 6.3 tt -120.95 119.96 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.091 -0.958 . . . . 0.21 108.783 171.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.712 ' HB2' ' HB3' ' B' ' 2' ' ' ARG . 1.6 m -108.83 147.28 32.35 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.101 0.477 . . . . 1.36 110.804 -171.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.574 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 44.5 t -74.54 153.13 39.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.435 -0.802 . . . . 0.2 110.596 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.617 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 35.4 t70 -60.87 -68.11 0.34 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.732 0.301 . . . . 0.66 111.492 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -75.6 -7.72 83.42 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 114.903 0.721 . . . . 0.37 114.903 -170.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.565 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 21.5 p -136.2 133.96 19.85 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 117.912 0.856 . . . . 1.34 110.453 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -63.81 -11.62 27.67 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.571 2.847 . . . . 0.52 113.989 -173.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.508 ' HG2' ' OE2' ' A' ' 296' ' ' GLU . 54.3 mtt180 -60.71 128.35 36.14 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.19 0.519 . . . . 1.3 111.534 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.26 155.75 23.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.318 -0.856 . . . . 0.14 109.289 177.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.652 ' CE2' ' HB3' ' A' ' 300' ' ' ALA . 57.9 m-85 -137.78 168.29 19.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.008 0.433 . . . . 0.21 111.336 -174.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 38.8 m80 -96.13 146.29 24.79 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.554 -0.748 . . . . 0.18 109.116 169.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.545 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 88.4 mt -56.14 -53.29 58.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.54 0.209 . . . . 0.27 111.373 -174.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.31 -23.16 59.03 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.464 0.542 . . . . 0.2 112.464 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.601 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -74.8 -20.54 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.018 0.437 . . . . 0.21 110.524 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 51.2 mt -74.4 154.09 38.95 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.284 0.564 . . . . 0.2 111.499 175.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 24.6 t -140.54 115.07 7.44 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.392 -0.822 . . . . 0.93 109.081 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.3 137.79 47.04 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.513 -1.453 . . . . 0.61 112.374 -0.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -70.83 146.77 54.46 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.028 2.486 . . . . 0.42 112.761 -177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.545 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 3.9 mm? -94.43 131.7 39.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.642 -0.708 . . . . 1.03 110.328 179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.747 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 7.7 ptp180 -83.51 -28.09 28.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.161 0.505 . . . . 3.15 110.403 175.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . 0.747 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 7.4 pt-20 -149.52 158.95 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.682 -0.69 . . . . 1.57 110.048 -177.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 31.7 mm -72.36 125.18 91.47 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 0.28 112.26 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.82 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 18.8 Cg_endo -64.71 146.93 89.54 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.329 2.686 . . . . 0.29 112.35 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.8 p -95.01 34.21 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.009 0.433 . . . . 1.66 111.748 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -163.43 -172.2 30.62 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.604 -0.807 . . . . 0.46 111.813 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 7.1 p -65.09 108.15 1.75 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 0.58 110.791 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.445 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 88.5 t90 -86.34 145.16 27.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.467 -0.788 . . . . 0.29 110.084 -177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.574 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.2 mtt180 -118.84 134.35 55.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 1.99 110.792 -178.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 22.4 p -72.77 173.28 9.33 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.533 -0.303 . . . . 0.63 110.318 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 13.8 m -53.53 -44.53 69.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.836 0.35 . . . . 1.47 111.06 179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 14.8 m -56.78 -43.37 80.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 1.67 111.206 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 92.0 m -63.79 -42.31 97.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.95 0.405 . . . . 0.57 111.137 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.37 -42.72 82.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.105 -0.498 . . . . 0.85 110.8 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -76.31 -29.21 57.25 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.579 . . . . 1.93 111.99 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -85.87 7.11 25.32 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 111.964 0.357 . . . . 1.31 111.964 -175.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 35.9 p 50.36 92.67 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.623 0.769 . . . . 2.69 112.845 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 340' ' ' CYS . 62.5 t -83.04 -25.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.775 -0.648 . . . . 5.52 110.269 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -94.87 148.21 22.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.771 -0.649 . . . . 6.73 110.087 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -69.32 117.0 10.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 7.68 111.607 -174.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 4.1 t -109.8 38.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.936 0.874 . . . . 9.19 108.843 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -147.02 87.26 6.25 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.358 -0.837 . . . . 10.48 110.432 -177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -81.22 125.98 5.41 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.52 2.147 . . . . 12.51 112.121 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -86.77 73.43 10.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 14.87 110.155 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -118.93 19.44 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 15.81 111.737 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 45.75 66.2 0.98 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.19 -0.913 . . . . 17.69 111.776 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 . . . . . 0 C--O 1.249 1.075 0 CA-C-N 115.529 -0.76 . . . . 18.81 109.999 -177.517 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.82 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 110.188 -0.301 . . . . 0.29 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.712 ' HB3' ' HB2' ' A' ' 310' ' ' CYS . 23.4 ttm-85 -75.31 139.68 42.63 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.529 -0.915 . . . . 0.69 108.529 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.77 143.36 41.08 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.621 -0.432 . . . . 0.95 111.371 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 28.8 mtpp -132.96 139.44 47.3 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.75 110.841 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -101.39 102.13 12.89 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.514 -0.921 . . . . 2.88 108.514 170.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.9 p -122.79 155.44 36.54 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.28 0.562 . . . . 1.03 112.063 -172.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.92 133.96 48.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.43 -0.805 . . . . 0.9 109.694 173.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' B' ' 8' ' ' ARG . 50.6 mtm180 -66.48 148.1 52.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 3.09 110.831 -178.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 48.2 mmtm -102.04 6.67 41.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.768 -0.651 . . . . 3.53 110.51 -172.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.251 1.184 0 CA-C-N 115.636 -0.711 . . . . 4.45 111.065 -178.247 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.632 -0.587 . . . . 7.93 111.632 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 58.48 43.52 19.38 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.35 0.595 . . . . 6.29 110.708 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 26.5 ptm -93.09 151.12 20.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.758 -0.655 . . . . 6.45 110.021 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -86.85 138.69 31.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.947 -0.76 . . . . 3.16 108.947 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -120.86 92.59 3.79 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.158 -1.053 . . . . 4.62 108.158 -178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 315' ' ' PRO . 27.1 tptp -119.02 137.85 53.24 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.822 -0.626 . . . . 3.4 109.539 -170.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.781 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -101.95 135.22 43.89 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.915 -0.584 . . . . 1.25 109.61 176.492 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.14 132.41 45.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.933 -0.576 . . . . 1.11 109.519 -177.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.491 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 21.5 m-20 -90.31 6.08 44.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.14 -0.482 . . . . 0.49 111.34 -169.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.6 131.68 31.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.217 0.532 . . . . 2.53 110.017 176.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.7 t -59.79 137.92 57.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.088 -0.96 . . . . 0.21 111.67 -173.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.536 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -67.53 -12.71 60.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.754 -0.657 . . . . 0.31 111.602 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 322' ' ' CYS . 88.4 t -83.25 -66.11 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.381 -0.372 . . . . 0.31 111.272 179.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 9.4 p -114.66 6.24 15.63 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.439 0.533 . . . . 0.34 112.439 -173.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 59.6 30.59 20.22 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.304 0.573 . . . . 2.38 111.848 178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.56 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 48.0 t0 -105.95 159.92 15.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.42 -0.809 . . . . 1.54 109.531 177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -113.14 -166.04 16.43 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.034 -0.603 . . . . 0.7 112.032 -177.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.536 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 104.81 -112.19 3.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.452 -0.88 . . . . 0.4 112.553 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.67 77.73 5.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.287 0.565 . . . . 1.91 110.534 -177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.98 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 82.8 mt -99.15 150.38 22.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.365 -0.834 . . . . 0.24 111.947 -175.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 9.8 tt -131.66 111.57 19.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.494 -0.776 . . . . 0.21 109.393 171.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.987 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 43.5 t -94.68 147.94 22.79 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.727 -0.67 . . . . 1.36 111.533 -174.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.602 ' HA ' ' HE3' ' A' ' 335' ' ' TRP . 44.6 t -74.23 147.91 42.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.03 -0.986 . . . . 0.2 110.185 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.45 -67.27 0.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.837 -0.345 . . . . 0.66 111.238 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -85.32 0.13 88.56 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.871 -0.68 . . . . 0.37 113.65 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 77.1 m -130.43 126.71 22.22 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 117.337 0.569 . . . . 1.34 110.86 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 11.3 Cg_endo -57.93 -20.69 45.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 123.773 2.982 . . . . 0.52 114.976 -173.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 68.4 mtt-85 -59.17 136.73 58.05 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.397 0.518 . . . . 1.3 112.397 -177.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 310' ' ' CYS . . . -118.34 151.99 36.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.368 -0.833 . . . . 0.14 109.164 173.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.507 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 53.2 m-85 -134.51 169.43 17.28 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.499 -0.318 . . . . 0.21 110.833 -174.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 40.4 m80 -95.89 146.18 24.78 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.128 -0.693 . . . . 0.18 109.128 170.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.646 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 80.8 mt -56.19 -54.14 48.74 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.17 0.293 . . . . 0.27 111.566 -173.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -73.39 -20.22 60.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.069 -0.514 . . . . 0.2 111.931 -176.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 72.0 m -77.19 -23.35 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.21 111.115 -179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 54.2 mt -70.21 155.01 41.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.108 -0.496 . . . . 0.2 111.155 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 2.9 m -138.72 109.13 7.84 Favored Pre-proline 0 N--CA 1.434 -1.274 0 CA-C-N 115.977 -0.556 . . . . 0.93 110.17 177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.0 Cg_exo -69.96 144.59 77.52 Favored 'Cis proline' 0 C--N 1.345 0.381 0 C-N-CA 124.1 -1.208 . . . . 0.61 112.336 -1.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 7.0 Cg_exo -70.52 141.33 41.87 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.816 2.344 . . . . 0.42 112.331 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.646 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.3 mm? -91.59 124.26 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.239 -0.652 . . . . 1.03 109.239 175.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -86.29 -21.1 27.52 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.413 0.625 . . . . 3.15 110.165 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -137.11 152.22 49.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.139 -0.937 . . . . 1.57 110.171 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 32.6 mm -81.89 117.1 67.03 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 121.187 0.518 . . . . 0.28 111.579 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 16.7 Cg_endo -67.7 138.05 44.01 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.857 2.371 . . . . 0.29 112.964 179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 23.2 m -96.37 43.93 1.07 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.835 0.826 . . . . 1.66 110.33 -177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -155.6 -172.26 22.98 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.132 -0.94 . . . . 0.46 111.296 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 24.5 p -69.5 105.37 2.61 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.113 0.482 . . . . 0.58 110.604 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.602 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 89.0 t90 -88.8 143.56 26.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.062 -0.517 . . . . 0.29 110.19 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.497 ' HB3' ' HB2' ' A' ' 340' ' ' CYS . 91.1 mtt180 -114.11 138.03 50.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.905 -0.589 . . . . 1.99 111.456 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 29.4 p -86.95 -175.64 5.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.422 -0.354 . . . . 0.63 110.05 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 1.5 p -55.97 -46.86 78.51 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.9 0.704 . . . . 1.47 112.9 -176.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 23.0 t -56.95 -42.33 79.89 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.72 0.295 . . . . 1.67 111.211 -176.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.497 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 74.0 m -65.08 -42.34 94.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.57 111.006 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.2 mt -62.04 -37.08 83.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 0.85 111.118 -176.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -74.52 -13.55 60.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 1.93 111.092 -177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -96.21 8.54 43.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.972 0.415 . . . . 1.31 110.793 -178.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 8.6 p -124.64 48.93 1.89 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.066 0.46 . . . . 2.69 111.246 -178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 45.2 t -86.58 -70.75 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.802 -0.444 . . . . 5.52 109.802 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 50.79 78.1 0.11 Allowed 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.054 0.846 . . . . 6.73 112.522 175.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -104.39 154.43 19.86 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.48 -0.782 . . . . 7.68 109.913 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 33.2 t -89.98 68.82 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.682 0.753 . . . . 9.19 109.421 -177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 63.89 80.3 0.24 Allowed Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 114.197 -1.365 . . . . 10.48 111.368 177.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -83.02 164.35 15.38 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.278 1.985 . . . . 12.51 111.508 176.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -54.3 -68.63 0.17 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.219 -0.289 . . . . 14.87 110.219 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . 63.01 31.37 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 15.81 110.574 176.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -114.13 -38.55 4.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.411 -0.813 . . . . 17.69 108.828 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.24 -0.886 . . . . 18.81 109.355 179.118 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 109.989 -0.374 . . . . 0.29 109.989 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.987 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 24.7 ttm-85 -90.74 73.69 6.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.089 0.471 . . . . 0.69 110.118 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.15 134.81 47.24 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.035 -0.529 . . . . 0.95 111.239 -177.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.98 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 26.2 mtpp -120.48 156.66 31.04 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 0.75 110.38 -176.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -136.79 84.06 2.04 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.14 -0.689 . . . . 2.88 109.14 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -105.47 -178.86 3.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.908 -0.587 . . . . 1.03 111.437 -175.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.98 132.5 47.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.9 109.75 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.536 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 26.4 mtm180 -84.68 140.3 31.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.986 0.422 . . . . 3.09 110.542 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -100.54 25.29 7.9 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.755 -0.657 . . . . 3.53 109.696 -174.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.535 -0.745 . . . . 4.45 110.201 179.7 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.773 -0.531 . . . . 7.93 111.773 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -115.36 114.27 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.126 0.488 . . . . 6.29 111.038 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -157.34 124.14 5.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.838 -0.619 . . . . 6.45 109.546 176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -89.74 148.06 23.48 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.785 -0.45 . . . . 3.16 109.785 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 60.01 103.34 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 O-C-N 123.901 0.751 . . . . 4.62 112.192 -175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . 0.516 ' HE2' ' O ' ' A' ' 295' ' ' ASN . 18.0 tptm -68.18 144.12 55.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.966 -0.561 . . . . 3.4 109.829 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.721 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 2.6 p30 -102.29 136.84 41.4 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 116.085 -0.507 . . . . 1.25 109.637 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . 0.535 ' OE1' ' HA ' ' A' ' 316' ' ' ARG . 58.7 mt-10 -61.84 150.64 36.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.912 0.387 . . . . 1.11 110.292 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -108.06 4.98 25.63 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.785 -0.82 . . . . 0.49 108.785 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.65 124.27 18.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.545 -1.207 . . . . 2.53 108.762 177.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.631 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 22.7 t -53.38 137.89 34.31 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.664 -0.698 . . . . 0.21 111.415 -176.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -62.69 -16.87 59.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.31 111.543 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.575 HG11 ' HB3' ' A' ' 322' ' ' CYS . 71.3 t -81.37 -60.86 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.946 -0.57 . . . . 0.31 111.746 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 13.3 p -120.97 3.74 10.49 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.502 0.556 . . . . 0.34 112.502 -173.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 36.1 mmt180 58.1 34.06 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.132 0.573 . . . . 2.38 112.337 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.542 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 37.2 t0 -105.32 164.69 11.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.707 -0.678 . . . . 1.54 109.255 174.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -110.79 -164.5 18.71 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.062 -0.59 . . . . 0.7 111.933 -177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 113.94 -131.54 9.99 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.846 -0.693 . . . . 0.4 111.891 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -77.62 83.44 4.01 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.089 0.471 . . . . 1.91 110.342 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.543 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 91.9 mt -89.8 146.79 24.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.327 -0.851 . . . . 0.24 111.811 -177.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.534 HG13 ' HB1' ' B' ' 1' ' ' ALA . 4.6 tt -123.58 107.74 19.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.125 172.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.812 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 41.8 t -98.68 146.63 25.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.271 0.558 . . . . 1.36 111.342 -174.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.582 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 38.8 t -74.65 152.14 39.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.125 -0.943 . . . . 0.2 111.352 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.556 ' HA ' HH21 ' B' ' 2' ' ' ARG . 20.3 t70 -60.68 -68.05 0.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.72 0.295 . . . . 0.66 111.549 175.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -82.51 -5.07 89.85 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.937 -0.649 . . . . 0.37 113.66 -172.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 90.9 m -129.22 128.38 23.27 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.985 0.421 . . . . 1.34 110.781 179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 294' ' ' LYS . 12.8 Cg_endo -57.4 -21.27 44.16 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 124.041 3.16 . . . . 0.52 113.931 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.535 ' HA ' ' OE1' ' A' ' 296' ' ' GLU . 90.7 mtt180 -60.29 127.32 31.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.389 0.614 . . . . 1.3 112.234 -175.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -111.36 148.66 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.902 -1.044 . . . . 0.14 108.513 175.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.582 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 40.4 m-85 -131.39 171.83 12.9 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 120.973 0.416 . . . . 0.21 111.17 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.572 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 37.0 m80 -99.88 146.28 26.82 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.705 -0.85 . . . . 0.18 108.705 169.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.6 mt -55.37 -52.45 63.47 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.852 0.316 . . . . 0.27 111.852 -173.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.48 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.12 -23.29 61.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.316 -0.402 . . . . 0.2 111.944 -177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.575 ' HB3' HG11 ' A' ' 301' ' ' VAL . 83.3 m -75.19 -25.26 58.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.409 -0.359 . . . . 0.21 111.195 -178.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 46.2 mt -66.74 159.94 26.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.957 0.408 . . . . 0.2 111.707 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 33.3 t -139.26 112.27 7.94 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 115.874 -0.603 . . . . 0.93 109.726 174.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.505 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 8.0 Cg_exo -74.06 140.69 68.7 Favored 'Cis proline' 0 C--O 1.236 0.388 0 C-N-CA 123.901 -1.291 . . . . 0.61 112.07 -0.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 9.0 Cg_exo -68.31 141.19 50.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.16 2.573 . . . . 0.42 112.696 -176.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.559 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 79.7 mt -90.81 140.28 29.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.502 -0.772 . . . . 1.03 110.598 178.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -92.82 -22.82 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.31 0.576 . . . . 3.15 109.819 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -140.86 165.27 27.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.304 -0.862 . . . . 1.57 110.39 -177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.482 HD13 HD21 ' A' ' 320' ' ' LEU . 25.1 mm -84.35 125.81 71.02 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.84 -0.618 . . . . 0.28 111.833 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.669 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 12.2 Cg_endo -61.98 138.84 75.81 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 123.081 2.52 . . . . 0.29 112.733 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 26.2 m -93.26 46.97 1.23 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.685 -0.689 . . . . 1.66 111.278 -173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -173.68 -170.82 37.57 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.17 -0.772 . . . . 0.46 111.17 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.3 p -66.73 120.71 13.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.989 0.423 . . . . 0.58 110.665 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 78.1 t90 -96.06 148.82 22.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.119 -0.491 . . . . 0.29 110.352 -176.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.582 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 79.1 mtt180 -124.39 133.63 53.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.148 -0.478 . . . . 1.99 110.75 -178.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.4 p -80.14 179.48 7.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.055 -0.52 . . . . 0.63 110.747 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 4.5 p -53.46 -47.14 70.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.389 -0.369 . . . . 1.47 111.849 -178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 27.5 t -56.42 -42.92 78.83 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.141 -0.481 . . . . 1.67 111.157 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.9 m -61.87 -42.22 98.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.014 0.435 . . . . 0.57 111.276 -179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 64.5 mt -73.82 -38.42 64.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.135 -0.484 . . . . 0.85 110.783 -176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -79.17 -16.33 56.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 1.93 111.445 -175.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -94.12 -2.81 52.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.954 0.407 . . . . 1.31 111.371 -178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 2.8 p -117.28 73.6 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.301 0.572 . . . . 2.69 110.732 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 -36.84 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.645 -0.707 . . . . 5.52 110.32 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 61.29 88.25 0.09 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.086 -0.507 . . . . 6.73 110.152 -174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -60.04 134.19 56.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.419 -0.81 . . . . 7.68 111.197 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 348' ' ' VAL . 7.1 p -146.51 72.88 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 121.946 0.879 . . . . 9.19 111.334 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -101.91 109.49 59.87 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 116.076 -0.511 . . . . 10.48 109.897 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -89.52 -163.45 0.14 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.353 2.702 . . . . 12.51 111.671 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? 68.93 39.69 1.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.101 0.477 . . . . 14.87 110.308 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.26 61.77 4.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 15.81 109.355 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -78.22 129.95 35.7 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.311 -0.859 . . . . 17.69 111.322 -172.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 114.865 -1.062 . . . . 18.81 108.9 178.392 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.669 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 109.824 -0.435 . . . . 0.29 109.824 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.812 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 40.9 ttm-85 -75.29 77.77 2.39 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.098 0.475 . . . . 0.69 110.205 -176.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 308' ' ' LEU . 8.6 p -81.43 140.53 34.61 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.026 -0.534 . . . . 0.95 111.392 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.656 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 52.5 mtpt -127.31 147.79 50.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.75 111.139 -176.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -108.5 80.97 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.336 -0.616 . . . . 2.88 109.336 173.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.0 p -101.85 155.96 17.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.106 -0.497 . . . . 1.03 110.921 -176.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.537 ' O ' ' HE3' ' B' ' 9' ' ' LYS . . . -67.76 137.44 55.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.819 -0.628 . . . . 0.9 109.8 174.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 mtm105 -67.19 134.63 52.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.127 0.489 . . . . 3.09 110.207 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.537 ' HE3' ' O ' ' B' ' 7' ' ' ALA . 28.1 mmtp -95.16 -46.37 6.8 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.66 -0.7 . . . . 3.53 109.5 -174.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 34.2 p . . . . . 0 C--O 1.245 0.835 0 CA-C-N 114.906 -1.043 . . . . 4.45 112.335 178.775 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.027 -0.429 . . . . 7.93 112.027 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -156.94 95.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.858 0.361 . . . . 6.29 110.833 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 14.4 tpt -100.36 85.72 3.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.091 0.472 . . . . 6.45 109.974 177.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -99.63 117.72 34.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 3.16 110.39 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.36 58.21 1.26 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.269 0.556 . . . . 4.62 109.701 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -137.61 142.24 41.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.621 -0.718 . . . . 3.4 110.155 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.747 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -145.68 133.9 21.68 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.158 0.504 . . . . 1.25 110.13 175.755 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.68 162.4 23.03 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.668 . . . . 1.11 110.008 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -104.61 16.37 26.2 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.701 0.286 . . . . 0.49 111.383 -172.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.5 150.64 31.55 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.294 0.568 . . . . 2.53 110.396 177.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 53.6 t -73.08 137.29 45.18 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.869 -1.06 . . . . 0.21 111.305 -178.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.431 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.67 -15.63 62.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.668 -0.696 . . . . 0.31 111.225 177.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 322' ' ' CYS . 73.0 t -82.97 -65.43 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.683 -0.69 . . . . 0.31 111.736 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 15.4 p -109.62 -0.06 18.84 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.203 0.446 . . . . 0.34 112.203 -172.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 63.39 21.9 13.01 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 122.663 0.385 . . . . 2.38 111.887 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.748 ' HA ' ' HB2' ' B' ' 9' ' ' LYS . 4.5 t70 -102.91 171.56 7.33 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.121 -0.696 . . . . 1.54 109.121 177.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -117.55 -167.68 14.36 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.098 -0.573 . . . . 0.7 112.067 -175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . . . . . . . . . . . 117.32 -141.07 16.29 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.851 -0.69 . . . . 0.4 111.797 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.96 87.4 0.37 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.392 0.615 . . . . 1.91 110.372 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 62.5 mt -91.84 147.47 22.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.349 -0.841 . . . . 0.24 111.549 -175.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.457 HG13 ' HB1' ' B' ' 1' ' ' ALA . 7.7 tt -120.84 107.19 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.399 -0.963 . . . . 0.21 108.399 171.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.759 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.8 t -98.71 147.9 24.4 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.417 -0.81 . . . . 1.36 110.758 -173.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.8 t -73.29 150.04 42.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.308 -0.86 . . . . 0.2 111.102 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.404 ' HA ' HH21 ' B' ' 2' ' ' ARG . 33.9 t70 -59.6 -67.45 0.38 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.378 -0.374 . . . . 0.66 111.154 177.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -86.67 6.51 82.45 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.734 -0.746 . . . . 0.37 113.822 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 85.2 m -135.89 128.47 17.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 117.085 0.442 . . . . 1.34 110.348 178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.48 -11.88 33.73 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.064 2.509 . . . . 0.52 113.916 -173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -62.51 135.77 57.57 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.026 0.441 . . . . 1.3 111.427 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -114.61 150.11 35.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.406 -0.815 . . . . 0.14 109.15 175.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.48 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.1 m-85 -133.16 168.78 17.91 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.724 0.297 . . . . 0.21 110.908 -176.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.629 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 36.5 m80 -97.24 145.27 26.23 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.258 -0.645 . . . . 0.18 109.258 170.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.662 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.0 mt -52.81 -51.77 59.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.05 0.389 . . . . 0.27 112.05 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -78.12 -18.68 55.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.947 -0.57 . . . . 0.2 111.813 -174.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 77.5 m -77.01 -24.88 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.884 0.374 . . . . 0.21 110.727 -178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 78.2 mt -71.42 156.25 39.69 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.995 -0.548 . . . . 0.2 111.4 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 20.8 t -140.49 117.07 7.84 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.33 -0.618 . . . . 0.93 109.33 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.57 134.46 31.12 Favored 'Cis proline' 0 C--N 1.343 0.256 0 C-N-CA 123.481 -1.466 . . . . 0.61 112.051 -0.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -69.42 141.03 45.45 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.807 2.338 . . . . 0.42 112.539 -177.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.662 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.1 mm? -89.43 126.43 35.56 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.755 -0.657 . . . . 1.03 109.834 178.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -80.81 -25.13 38.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.607 . . . . 3.15 109.959 176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.36 162.85 34.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.063 -0.971 . . . . 1.57 109.891 -176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.412 ' CD1' HD21 ' A' ' 320' ' ' LEU . 43.2 mm -81.48 123.79 80.71 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.797 -0.638 . . . . 0.28 111.335 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -65.16 133.63 36.15 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.46 2.107 . . . . 0.29 112.055 176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 20.1 m -87.67 53.19 2.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.251 0.548 . . . . 1.66 110.986 -175.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -176.19 -168.38 36.29 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.472 -0.651 . . . . 0.46 111.472 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.4 p -65.54 117.51 8.12 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 0.58 111.143 179.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.519 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.3 t90 -96.83 145.77 25.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.213 -0.448 . . . . 0.29 109.95 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.539 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 89.9 mtt180 -123.88 136.49 54.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.903 -0.59 . . . . 1.99 110.914 -177.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 29.6 p -78.51 176.45 9.4 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.236 -0.438 . . . . 0.63 110.595 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -46.93 65.71 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.224 0.327 . . . . 1.47 111.573 -177.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.9 t -57.52 -43.2 84.1 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.089 -0.505 . . . . 1.67 111.003 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.494 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 72.4 m -65.62 -41.88 92.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.107 -0.497 . . . . 0.57 111.314 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.2 -36.54 81.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.055 0.455 . . . . 0.85 110.633 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -86.95 1.63 52.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.206 -0.452 . . . . 1.93 110.355 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -86.61 13.06 9.2 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.263 0.554 . . . . 1.31 110.104 178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 1.2 p -71.37 61.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.139 -0.937 . . . . 2.69 111.297 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 54.3 t -52.99 -35.84 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.207 -0.906 . . . . 5.52 110.775 176.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -129.77 103.93 7.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.825 -0.625 . . . . 6.73 110.586 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.24 -172.01 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.196 -0.456 . . . . 7.68 110.182 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 58.4 t 53.84 64.81 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 122.216 1.008 . . . . 9.19 109.477 -170.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 350' ' ' PRO . 80.0 mt-30 -75.78 118.69 72.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 114.643 -1.162 . . . . 10.48 110.031 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 349' ' ' GLN . 33.6 Cg_exo -59.5 124.23 15.04 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 123.373 2.715 . . . . 12.51 113.061 -174.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -76.65 -24.11 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.444 -0.947 . . . . 14.87 108.444 171.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -138.07 130.84 29.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 114.823 -1.081 . . . . 15.81 108.714 174.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.414 ' HB2' ' CB ' ' A' ' 350' ' ' PRO . 7.2 tp10 -160.2 145.58 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.785 0.326 . . . . 17.69 111.02 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.36 -0.828 . . . . 18.81 109.452 172.826 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.457 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 109.837 -0.431 . . . . 0.29 109.837 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.759 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 39.0 ttm-85 -73.55 83.1 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.966 0.412 . . . . 0.69 110.307 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.38 140.26 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.098 0.475 . . . . 0.95 112.055 -173.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.747 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 50.5 mtpt -130.64 140.77 50.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.721 . . . . 0.75 110.511 -177.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -80.96 -55.86 4.5 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.434 -0.58 . . . . 2.88 109.434 175.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.404 HG22 ' H ' ' B' ' 7' ' ' ALA . 0.2 OUTLIER 60.86 172.36 0.1 Allowed 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 121.903 0.859 . . . . 1.03 113.021 167.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.404 ' H ' HG22 ' B' ' 6' ' ' THR . . . -106.09 144.24 33.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.365 -0.834 . . . . 0.9 108.929 169.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -81.06 155.95 26.08 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.889 0.376 . . . . 3.09 111.225 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.748 ' HB2' ' HA ' ' A' ' 304' ' ' ASP . 9.8 mmmm -93.8 -1.13 55.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.893 -0.594 . . . . 3.53 110.524 -175.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.607 -0.711 . . . . 4.45 110.358 179.02 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 112.137 -0.385 . . . . 7.93 112.137 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . 57.12 34.32 24.68 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.968 0.507 . . . . 6.29 111.863 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 16.1 tpt 56.91 62.96 2.07 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 121.92 0.867 . . . . 6.45 109.993 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -137.68 25.87 2.82 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.217 -0.901 . . . . 3.16 109.248 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -109.16 130.42 55.48 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.928 -1.033 . . . . 4.62 110.213 -175.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.31 132.09 45.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.222 0.534 . . . . 3.4 110.694 177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.694 ' HB3' ' HD2' ' B' ' 2' ' ' ARG . 0.2 OUTLIER -100.7 134.73 43.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.255 -0.884 . . . . 1.25 109.263 176.396 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.37 140.51 52.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.99 -0.55 . . . . 1.11 110.352 -174.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -91.99 5.45 50.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.974 -0.557 . . . . 0.49 110.61 -173.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -136.68 133.36 36.1 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 2.53 109.837 177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.636 ' SG ' ' HA ' ' A' ' 318' ' ' PHE . 40.4 t -63.05 137.71 58.34 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.791 -1.095 . . . . 0.21 112.084 -172.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.564 ' HB1' HH11 ' A' ' 316' ' ' ARG . . . -65.37 -16.83 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.42 -0.809 . . . . 0.31 111.403 178.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.617 HG11 ' HB3' ' A' ' 322' ' ' CYS . 97.6 t -81.62 -70.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.876 -0.602 . . . . 0.31 111.33 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 21.6 p -107.91 -1.61 20.55 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.328 0.492 . . . . 0.34 112.328 -170.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.49 ' HA ' ' HD3' ' A' ' 303' ' ' ARG . 26.3 mmt180 62.32 26.89 16.09 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.41 0.624 . . . . 2.38 112.18 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -104.6 176.54 5.12 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.337 -0.847 . . . . 1.54 109.174 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . 0.553 ' O ' ' HG2' ' B' ' 8' ' ' ARG . . . -117.76 -173.06 16.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.131 -1.033 . . . . 0.7 111.599 -176.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.608 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 120.66 -125.53 6.27 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.767 -0.73 . . . . 0.4 113.081 176.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -78.64 85.21 4.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.191 0.52 . . . . 1.91 110.196 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 66.8 mt -99.23 140.89 32.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.518 -0.764 . . . . 0.24 111.76 -174.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 11.2 tt -123.98 123.52 66.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.231 -0.895 . . . . 0.21 108.698 172.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 50.0 t -112.08 144.38 41.53 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.99 -0.55 . . . . 1.36 110.393 -170.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.762 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 21.1 t -74.43 150.75 39.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.474 -0.785 . . . . 0.2 111.027 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.578 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 29.3 t70 -60.13 -67.01 0.43 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.316 -0.402 . . . . 0.66 110.525 175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -71.44 -11.25 71.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.004 0.762 . . . . 0.37 115.004 -173.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 12.9 p -134.48 133.85 21.91 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 118.517 1.158 . . . . 1.34 110.782 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.56 -10.44 21.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.715 2.943 . . . . 0.52 113.978 -174.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.564 HH11 ' HB1' ' A' ' 300' ' ' ALA . 49.8 mtt180 -62.43 138.19 58.41 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.937 0.398 . . . . 1.3 111.372 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -121.6 149.66 42.83 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.105 -0.702 . . . . 0.14 109.105 175.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.636 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 59.1 m-85 -132.36 167.93 19.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.872 0.368 . . . . 0.21 110.849 -173.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.594 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 51.4 m80 -96.87 146.34 25.02 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.601 -0.889 . . . . 0.18 108.601 169.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 81.8 mt -54.4 -51.4 64.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.765 0.257 . . . . 0.27 111.189 -174.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -76.95 -18.69 58.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.2 112.012 -176.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.617 ' HB3' HG11 ' A' ' 301' ' ' VAL . 88.5 m -77.57 -23.47 49.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.75 0.31 . . . . 0.21 111.093 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . . . . . . . . . 66.1 mt -68.9 153.02 44.52 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.081 0.467 . . . . 0.2 111.087 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 325' ' ' PRO . 2.9 p -139.09 111.06 7.87 Favored Pre-proline 0 N--CA 1.434 -1.258 0 CA-C-N 115.628 -0.714 . . . . 0.93 110.071 175.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 324' ' ' SER . 12.2 Cg_exo -71.57 139.55 59.82 Favored 'Cis proline' 0 C--O 1.234 0.305 0 C-N-CA 123.668 -1.388 . . . . 0.61 112.479 -0.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -67.84 147.26 74.53 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 123.072 2.514 . . . . 0.42 112.897 -177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 93.5 mt -92.73 130.93 38.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.589 -0.732 . . . . 1.03 110.324 179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -87.71 -22.17 24.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.213 0.53 . . . . 3.15 110.137 179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -145.76 162.39 37.74 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.617 -0.72 . . . . 1.57 110.062 -177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 45.6 mm -79.85 117.94 69.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.008 -0.542 . . . . 0.28 111.083 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 335' ' ' TRP . 53.4 Cg_exo -49.36 141.17 25.47 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.869 3.046 . . . . 0.29 113.093 178.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 16.2 m -94.72 32.79 1.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.66 111.129 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -170.46 -164.24 25.85 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.827 -0.701 . . . . 0.46 111.877 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 1.6 p -64.72 110.2 2.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.225 0.536 . . . . 0.58 111.398 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.441 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 78.9 t90 -97.05 145.46 25.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.629 -0.714 . . . . 0.29 110.724 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.762 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 64.8 mtt180 -123.39 141.17 52.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.641 -0.709 . . . . 1.99 110.663 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 16.6 p -73.63 173.11 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.271 -0.64 . . . . 0.63 109.271 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 8.0 m -54.45 -45.95 73.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 1.47 110.953 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 21.8 t -60.6 -43.82 96.98 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.216 -0.447 . . . . 1.67 110.936 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 99.5 m -65.31 -40.53 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.447 -0.342 . . . . 0.57 111.609 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.38 -37.29 85.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.85 109.817 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -79.23 -3.22 44.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.256 -0.883 . . . . 1.93 111.084 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -88.79 3.05 52.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.283 0.563 . . . . 1.31 110.02 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . 0.657 HG21 ' HA ' ' A' ' 348' ' ' VAL . 0.3 OUTLIER -101.29 166.0 10.99 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.679 -0.692 . . . . 2.69 109.804 176.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.423 HG12 ' HG3' ' A' ' 346' ' ' GLN . 21.9 t -78.6 -78.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.998 0.428 . . . . 5.52 111.118 -173.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.423 ' HG3' HG12 ' A' ' 345' ' ' VAL . 37.8 mt-30 -126.88 -37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 6.73 110.096 -178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -122.7 161.96 22.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.128 -1.064 . . . . 7.68 108.128 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . 0.657 ' HA ' HG21 ' A' ' 344' ' ' THR . 8.9 p -86.78 24.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.959 0.885 . . . . 9.19 110.064 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . 0.467 ' HA ' ' HD3' ' A' ' 350' ' ' PRO . 23.9 pt20 -148.9 122.91 4.71 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.389 -0.823 . . . . 10.48 110.684 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 349' ' ' GLN . 10.0 Cg_endo -91.11 113.33 0.39 Allowed 'Trans proline' 0 N--CA 1.449 -1.109 0 C-N-CA 123.515 2.81 . . . . 12.51 110.698 174.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -106.07 -50.44 3.17 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.492 -0.483 . . . . 14.87 110.4 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -130.57 72.21 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.739 -0.664 . . . . 15.81 111.054 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.14 72.62 0.26 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.713 0.768 . . . . 17.69 111.988 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 . . . . . 0 C--O 1.252 1.198 0 CA-C-N 115.101 -0.954 . . . . 18.81 110.065 -175.665 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.099 -0.334 . . . . 0.29 110.099 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' HD2' ' HB3' ' A' ' 295' ' ' ASN . 31.7 ttm-85 -67.38 138.72 56.94 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 107.636 -1.246 . . . . 0.69 107.636 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.63 148.73 49.09 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 120.014 -0.674 . . . . 0.95 110.999 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.644 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 27.2 mtpp -135.64 140.06 44.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.704 -0.68 . . . . 0.75 109.771 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -116.55 84.63 2.17 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.223 0.535 . . . . 2.88 110.266 175.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.515 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 17.1 p -99.72 -179.06 4.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.462 -0.79 . . . . 1.03 110.282 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.89 135.36 33.72 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.732 -0.47 . . . . 0.9 109.732 174.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.608 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 53.9 mtm180 -71.95 101.55 2.71 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.259 0.552 . . . . 3.09 111.033 -179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.62 136.51 58.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.141 -0.936 . . . . 3.53 110.936 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 9.3 t . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.622 -0.704 . . . . 4.45 109.466 178.825 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 112.098 -0.401 . . . . 7.93 112.098 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -77.94 65.23 3.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.498 0.666 . . . . 6.29 110.453 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -130.94 158.17 40.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.247 -0.888 . . . . 6.45 109.997 -178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -157.31 10.53 0.2 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.984 0.421 . . . . 3.16 110.444 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 61.35 -179.71 0.11 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.271 -0.877 . . . . 4.62 110.84 -173.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . 0.408 ' HD3' ' HA ' ' A' ' 294' ' ' LYS . 67.3 mmtt -135.39 139.91 44.56 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.876 -0.602 . . . . 3.4 109.582 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.738 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.7 OUTLIER -131.08 132.35 44.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.965 -0.754 . . . . 1.25 108.965 173.647 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -87.22 138.15 31.73 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.527 -0.761 . . . . 1.11 110.839 -177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -86.75 35.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.899 -0.591 . . . . 0.49 111.704 -172.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -155.95 143.15 19.17 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.585 0.707 . . . . 2.53 110.578 173.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 36.9 t -72.29 136.81 46.36 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.713 -1.13 . . . . 0.21 110.754 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.465 ' HB2' ' HD3' ' A' ' 316' ' ' ARG . . . -64.57 -15.46 61.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.017 -0.538 . . . . 0.31 111.464 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.547 HG11 ' HB3' ' A' ' 322' ' ' CYS . 69.4 t -81.95 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.816 -0.629 . . . . 0.31 111.496 -178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 7.4 p -110.43 6.05 21.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.28 0.474 . . . . 0.34 112.28 -172.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.406 ' HD3' ' HA ' ' A' ' 303' ' ' ARG . 28.9 mmt180 58.36 31.18 20.59 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.3 0.572 . . . . 2.38 111.872 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.536 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 55.8 t0 -111.65 159.68 17.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.471 -0.786 . . . . 1.54 109.195 179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -111.08 -160.14 16.52 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.996 -0.621 . . . . 0.7 111.986 -176.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 109.51 -123.91 7.02 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.419 -0.896 . . . . 0.4 112.222 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.43 79.22 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.576 0.703 . . . . 1.91 110.523 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.649 ' HB3' ' HB1' ' A' ' 317' ' ' ALA . 64.7 mt -90.41 153.0 20.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.24 112.281 -175.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . 0.428 HG13 ' HB1' ' B' ' 1' ' ' ALA . 5.7 tt -127.39 113.18 30.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.734 -1.121 . . . . 0.21 108.57 171.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.691 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 49.6 t -102.99 146.39 28.42 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.078 -0.51 . . . . 1.36 110.854 -173.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.743 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 40.2 t -75.55 152.3 37.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.451 -0.795 . . . . 0.2 111.43 178.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.632 ' HA ' HH21 ' B' ' 2' ' ' ARG . 34.5 t70 -60.71 -66.11 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.15 -0.477 . . . . 0.66 111.1 173.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -72.0 -16.54 76.66 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 114.949 0.74 . . . . 0.37 114.949 -171.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 311' ' ' CYS . 30.1 p -134.39 133.75 21.91 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 117.978 0.889 . . . . 1.34 111.12 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 314' ' ' CYS . 36.8 Cg_exo -62.25 -6.74 8.8 Favored 'Trans proline' 0 N--CA 1.477 0.532 0 C-N-CA 124.087 3.192 . . . . 0.52 114.308 -174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . 0.465 ' HD3' ' HB2' ' A' ' 300' ' ' ALA . 74.0 mtt180 -63.84 130.02 42.45 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.003 0.43 . . . . 1.3 111.13 179.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.649 ' HB1' ' HB3' ' A' ' 308' ' ' LEU . . . -109.93 158.34 18.32 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.639 -0.874 . . . . 0.14 108.639 172.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.524 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 35.1 m-85 -139.45 171.48 14.2 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.856 0.36 . . . . 0.21 110.914 -176.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.536 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 45.2 m80 -99.15 145.88 26.73 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.664 -0.865 . . . . 0.18 108.664 168.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.588 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 64.2 mt -54.56 -53.34 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.81 0.338 . . . . 0.27 111.832 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -75.19 -22.27 58.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.053 -0.521 . . . . 0.2 111.742 -175.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.547 ' HB3' HG11 ' A' ' 301' ' ' VAL . 72.3 m -77.77 -23.55 49.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.356 -0.383 . . . . 0.21 111.465 -177.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.613 HD13 HD23 ' A' ' 327' ' ' LEU . 23.8 mt -63.36 159.42 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.122 0.487 . . . . 0.2 112.076 177.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 32.0 t -139.33 111.87 7.83 Favored Pre-proline 0 N--CA 1.448 -0.564 0 CA-C-N 115.767 -0.652 . . . . 0.93 109.443 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.506 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 16.4 Cg_exo -69.31 143.99 74.48 Favored 'Cis proline' 0 C--N 1.345 0.346 0 C-N-CA 123.693 -1.378 . . . . 0.61 112.11 -2.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 5.0 Cg_exo -71.03 135.53 27.65 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 123.004 2.47 . . . . 0.42 112.235 -178.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.613 HD23 HD13 ' A' ' 323' ' ' LEU . 4.4 mm? -89.07 126.38 35.42 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.087 -0.506 . . . . 1.03 110.034 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -90.15 -19.61 24.07 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.365 0.602 . . . . 3.15 110.429 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -139.74 149.17 43.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.048 -0.978 . . . . 1.57 110.041 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.405 HD13 HD21 ' A' ' 320' ' ' LEU . 38.5 mm -76.33 120.16 80.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.075 0.464 . . . . 0.28 111.168 -178.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -58.32 137.0 78.15 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 123.376 2.718 . . . . 0.29 112.44 176.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 49.1 m -95.55 47.07 1.11 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.763 -0.653 . . . . 1.66 110.535 -176.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -175.78 -168.18 35.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.752 -0.658 . . . . 0.46 111.806 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.86 116.84 7.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.442 . . . . 0.58 111.15 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -99.95 147.14 25.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.255 -0.43 . . . . 0.29 111.109 -176.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.743 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 63.6 mtt180 -126.0 136.62 53.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.009 -0.541 . . . . 1.99 110.45 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 20.4 p -69.59 172.2 7.74 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.551 -0.295 . . . . 0.63 110.87 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 5.8 m -55.06 -42.52 72.84 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.901 0.381 . . . . 1.47 110.885 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 6.2 m -59.35 -43.22 92.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.942 -0.572 . . . . 1.67 111.177 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 73.5 m -66.51 -42.6 87.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.264 -0.426 . . . . 0.57 110.938 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.7 mt -67.66 -30.04 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.85 110.802 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -71.31 -15.37 62.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.996 -0.547 . . . . 1.93 110.49 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -89.62 38.8 0.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.085 0.469 . . . . 1.31 110.21 177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.29 75.41 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.099 -0.955 . . . . 2.69 112.993 175.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 19.1 t -93.24 -4.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.97 0.891 . . . . 5.52 109.04 172.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -70.05 93.12 0.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.941 -1.027 . . . . 6.73 110.6 179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . 0.423 ' HG3' HG23 ' A' ' 348' ' ' VAL . 8.5 tp10 -57.52 144.42 37.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.097 -0.501 . . . . 7.68 110.469 175.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 347' ' ' GLU . 96.9 t 61.36 86.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-O 121.488 0.661 . . . . 9.19 110.563 -175.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -58.87 144.53 81.29 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.125 -0.943 . . . . 10.48 110.021 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.93 114.37 1.89 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.966 2.444 . . . . 12.51 112.102 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 351' ' ' ARG . 8.7 tpp180 -91.51 89.66 7.3 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 115.653 -0.703 . . . . 14.87 110.15 -177.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -86.75 78.24 9.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.447 -0.575 . . . . 15.81 109.447 178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -85.84 -42.86 13.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.541 -0.754 . . . . 17.69 109.368 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 . . . . . 0 C--O 1.246 0.903 0 CA-C-N 114.985 -1.007 . . . . 18.81 108.809 175.524 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.428 ' HB1' HG13 ' A' ' 309' ' ' ILE . . . . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 109.706 -0.479 . . . . 0.29 109.706 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.691 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 43.8 ttm-85 -77.79 76.18 4.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 0.69 110.207 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -77.35 146.76 36.51 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.188 0.518 . . . . 0.95 111.693 -176.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.738 ' HD2' ' HB2' ' A' ' 295' ' ' ASN . 25.7 mtpp -131.52 131.94 43.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.75 110.076 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -103.28 72.27 1.15 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.255 0.55 . . . . 2.88 109.625 174.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.463 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 32.3 p -95.63 174.47 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.866 -0.606 . . . . 1.03 111.282 -175.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.23 136.26 37.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.489 -0.56 . . . . 0.9 109.489 174.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -68.4 148.73 50.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.864 0.364 . . . . 3.09 110.372 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -100.96 60.85 0.95 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.206 -0.452 . . . . 3.53 109.911 -174.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.253 1.256 0 CA-C-O 118.422 -0.799 . . . . 4.45 110.223 179.432 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.952 0 N-CA-C 111.55 -0.62 . . . . 7.93 111.55 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -91.36 147.55 22.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.098 0.475 . . . . 6.29 111.408 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 65.9 mtt -111.52 147.31 35.63 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 6.45 109.921 175.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -154.55 151.85 29.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.284 -0.416 . . . . 3.16 110.431 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -73.7 174.8 7.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.354 -0.61 . . . . 4.62 109.354 175.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -127.07 130.85 50.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.085 -0.384 . . . . 3.4 110.231 -171.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.764 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.5 OUTLIER -132.85 136.38 46.19 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.99 -0.55 . . . . 1.25 109.825 -179.119 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -71.19 137.7 48.94 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.192 -0.458 . . . . 1.11 110.24 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 12.6 m-20 -89.73 13.24 14.79 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.272 0.558 . . . . 0.49 109.657 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . 0.426 ' HB3' ' C ' ' A' ' 303' ' ' ARG . 6.6 mp0 -132.43 145.61 51.33 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.284 -0.871 . . . . 2.53 108.723 174.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.2 t -70.96 138.96 50.44 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.468 -0.787 . . . . 0.21 110.781 179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -62.71 -22.22 66.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.424 . . . . 0.31 111.3 177.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.541 ' HB ' ' SG ' ' A' ' 299' ' ' CYS . 77.6 t -75.74 -61.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.901 -0.59 . . . . 0.31 111.538 -179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 5.6 p -118.17 2.56 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.804 0.668 . . . . 0.34 112.804 -172.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . 0.426 ' C ' ' HB3' ' A' ' 298' ' ' GLU . 26.1 mmm180 57.14 29.77 17.17 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.155 0.582 . . . . 2.38 111.27 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.606 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 6.4 t0 -99.19 165.71 11.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.457 -0.942 . . . . 1.54 108.457 176.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -116.31 -170.41 15.71 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.724 -0.751 . . . . 0.7 112.252 -175.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.648 ' HA3' ' HG2' ' B' ' 8' ' ' ARG . . . 112.71 -119.36 4.9 Favored Glycine 0 N--CA 1.443 -0.854 0 C-N-CA 120.463 -0.875 . . . . 0.4 112.596 177.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -82.81 89.58 6.82 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.76 0.791 . . . . 1.91 110.115 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.898 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 86.2 mt -106.23 150.95 25.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.519 -1.219 . . . . 0.24 111.703 -172.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.0 tt -131.88 114.51 24.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.306 -0.861 . . . . 0.21 108.811 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.775 ' HB3' ' HB3' ' B' ' 2' ' ' ARG . 45.7 t -103.12 147.37 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.964 -0.562 . . . . 1.36 110.972 -172.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 42.0 t -74.43 152.15 39.52 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.423 -0.808 . . . . 0.2 111.014 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.422 ' HA ' HH21 ' B' ' 2' ' ' ARG . 38.3 t70 -60.2 -68.22 0.31 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.431 -0.349 . . . . 0.66 111.221 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -83.24 -2.85 90.39 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 121.059 -0.591 . . . . 0.37 113.994 -173.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 75.9 m -129.97 129.89 23.06 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 117.207 0.504 . . . . 1.34 110.447 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -66.92 -9.04 23.44 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 123.228 2.619 . . . . 0.52 113.643 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 56.1 mtt-85 -62.41 131.63 49.88 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.896 0.379 . . . . 1.3 111.183 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.584 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -112.66 153.96 26.84 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.814 -0.81 . . . . 0.14 108.814 172.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.568 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 47.4 m-85 -135.78 163.44 30.2 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.75 0.31 . . . . 0.21 111.131 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.606 ' HE1' ' HB3' ' A' ' 304' ' ' ASP . 40.3 m80 -93.51 147.05 23.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.926 -0.768 . . . . 0.18 108.926 169.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.455 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 84.2 mt -55.95 -54.37 45.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.679 0.276 . . . . 0.27 111.351 -173.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 326' ' ' PRO . . . -72.42 -23.27 61.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.2 112.178 -177.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 319' ' ' HIS . 81.6 m -76.0 -22.39 55.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.896 0.379 . . . . 0.21 110.861 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.504 HD13 HD23 ' A' ' 327' ' ' LEU . 20.1 mt -71.49 156.9 38.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.311 0.577 . . . . 0.2 111.59 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 18.7 t -140.39 110.33 6.92 Favored Pre-proline 0 C--N 1.315 -0.914 0 N-CA-C 108.572 -0.899 . . . . 0.93 108.572 172.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . 0.51 ' HA ' ' HD3' ' A' ' 326' ' ' PRO . 72.4 Cg_endo -74.26 144.4 80.86 Favored 'Cis proline' 0 C--O 1.233 0.231 0 C-N-CA 123.251 -1.562 . . . . 0.61 112.626 2.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . 0.51 ' HD3' ' HA ' ' A' ' 325' ' ' PRO . 3.9 Cg_exo -71.94 127.73 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.82 2.347 . . . . 0.42 112.018 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.504 HD23 HD13 ' A' ' 323' ' ' LEU . 4.0 mm? -79.02 124.35 28.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.157 -0.474 . . . . 1.03 110.243 178.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . 0.6 ' HG3' ' HG2' ' A' ' 329' ' ' GLU . 15.2 ptm180 -74.86 -25.52 59.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.82 -0.627 . . . . 3.15 110.756 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . 0.6 ' HG2' ' HG3' ' A' ' 328' ' ' ARG . 5.1 pt-20 -157.15 160.47 38.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.545 -0.752 . . . . 1.57 110.054 178.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . . . . . . . . . 28.1 mm -69.44 125.68 92.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 112.714 0.635 . . . . 0.28 112.714 -172.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . 0.777 ' HG2' ' HB2' ' B' ' 1' ' ' ALA . 19.6 Cg_endo -64.46 142.65 79.33 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.486 2.791 . . . . 0.29 112.178 175.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 14.8 m -96.07 36.63 1.3 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.907 -0.588 . . . . 1.66 111.453 -172.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . -164.43 -165.85 22.37 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.655 -0.783 . . . . 0.46 111.833 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 2.0 p -65.19 109.8 2.34 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.046 0.45 . . . . 0.58 110.913 178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.479 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 83.6 t90 -92.13 141.21 28.84 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.29 110.028 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.523 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 69.6 mtt85 -119.17 132.9 56.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.739 -0.664 . . . . 1.99 111.025 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . . . . . . . . . 26.0 p -80.3 -179.3 7.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.51 . . . . 0.63 110.381 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 3.7 p -53.2 -46.74 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.461 -0.336 . . . . 1.47 111.9 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 4.8 m -54.22 -47.85 71.7 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.126 -0.488 . . . . 1.67 111.392 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 71.6 m -66.23 -42.54 88.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.57 111.115 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.91 -31.54 72.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.176 0.512 . . . . 0.85 110.602 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -71.55 -23.24 61.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.606 -0.725 . . . . 1.93 110.949 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -115.0 13.96 17.07 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.383 -0.371 . . . . 1.31 111.412 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 43.3 p 53.51 -162.72 0.11 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.443 0.697 . . . . 2.69 111.794 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.424 HG12 ' HG2' ' A' ' 346' ' ' GLN . 41.7 t -58.81 -68.77 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.256 -0.429 . . . . 5.52 110.902 -179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.424 ' HG2' HG12 ' A' ' 345' ' ' VAL . 85.2 mm-40 -142.59 -78.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.28 -0.637 . . . . 6.73 109.28 178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -150.5 137.79 19.52 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.915 -0.772 . . . . 7.68 108.915 172.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 11.5 t -96.09 61.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.43 0.633 . . . . 9.19 109.844 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -144.44 119.37 5.95 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.562 -0.745 . . . . 10.48 110.938 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.53 151.55 47.48 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.411 2.074 . . . . 12.51 110.534 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 351' ' ' ARG . 13.6 tpt180 -129.66 128.34 42.4 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.684 -0.406 . . . . 14.87 110.263 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -81.95 112.53 19.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 15.81 110.856 -178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . 0.427 ' HB3' ' H ' ' A' ' 354' ' ' GLU . 0.9 OUTLIER 178.39 -80.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.973 -1.121 . . . . 17.69 107.973 -176.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . 0.427 ' H ' ' HB3' ' A' ' 353' ' ' GLU . 29.2 tt0 . . . . . 0 C--O 1.25 1.126 0 O-C-N 124.613 1.196 . . . . 18.81 112.741 170.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.777 ' HB2' ' HG2' ' A' ' 331' ' ' PRO . . . . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.999 -0.371 . . . . 0.29 109.999 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.775 ' HB3' ' HB3' ' A' ' 310' ' ' CYS . 46.3 ttm-85 -80.92 69.2 7.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.401 -0.592 . . . . 0.69 109.401 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.45 141.27 48.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.57 -0.741 . . . . 0.95 111.36 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.898 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.0 mtpp -130.24 136.18 48.92 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.789 -0.641 . . . . 0.75 109.827 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -115.49 82.66 1.79 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.174 -0.676 . . . . 2.88 109.174 171.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.518 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 40.1 p -102.3 -168.58 1.55 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.951 -0.568 . . . . 1.03 111.08 -176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.68 131.14 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.345 -0.389 . . . . 0.9 110.741 179.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.648 ' HG2' ' HA3' ' A' ' 306' ' ' GLY . 18.6 mtm180 -71.95 148.34 46.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.858 -0.61 . . . . 3.09 110.514 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm -104.16 8.68 36.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.576 -0.898 . . . . 3.53 108.576 178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--O 1.249 1.04 0 CA-C-N 114.656 -1.156 . . . . 4.45 110.773 -178.261 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 289' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.527 0 N-CA-C 111.782 -0.527 . . . . 7.93 111.782 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 290' ' ' ALA . . . . . . . . . . . . . . . -84.27 94.88 8.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.083 0.468 . . . . 6.29 110.259 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' MET . . . . . . . . . . . . . 95.6 mmm -92.41 92.34 8.06 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.007 -0.542 . . . . 6.45 110.722 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 292' ' ' ALA . . . . . . . . . . . . . . . -98.76 3.78 47.6 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.291 -0.633 . . . . 3.16 109.291 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 293' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -62.05 142.49 57.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.986 -1.006 . . . . 4.62 110.138 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 294' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -134.11 120.39 20.09 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.88 0.371 . . . . 3.4 111.046 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 295' ' ' ASN . . . . . 0.804 ' HB2' ' HD2' ' B' ' 4' ' ' LYS . 0.8 OUTLIER -139.57 136.08 34.06 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.617 -0.512 . . . . 1.25 109.617 174.171 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 296' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -83.12 141.99 31.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.232 -0.44 . . . . 1.11 110.392 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 297' ' ' ASP . . . . . 0.582 ' HA ' ' HE2' ' B' ' 4' ' ' LYS . 7.2 m-20 -91.02 35.36 0.91 Allowed 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.072 0.463 . . . . 0.49 111.088 -175.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -146.34 144.72 29.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.46 0.648 . . . . 2.53 110.29 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 299' ' ' CYS . . . . . 0.715 ' HA ' ' O ' ' A' ' 317' ' ' ALA . 43.0 t -77.91 137.29 38.27 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 114.807 -1.088 . . . . 0.21 110.34 176.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ALA . . . . . 0.47 ' HB3' ' CE2' ' A' ' 318' ' ' PHE . . . -65.85 -16.83 64.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.31 111.068 178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' VAL . . . . . 0.597 HG11 ' HB3' ' A' ' 322' ' ' CYS . 82.1 t -80.81 -61.17 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.726 -0.67 . . . . 0.31 112.006 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' CYS . . . . . . . . . . . . . 8.4 p -120.79 9.31 10.68 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.733 0.642 . . . . 0.34 112.733 -173.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 59.83 28.15 17.58 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.06 0.457 . . . . 2.38 111.582 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' ASP . . . . . 0.543 ' HB3' ' HE1' ' A' ' 319' ' ' HIS . 52.0 t0 -107.0 167.04 10.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.197 -0.456 . . . . 1.54 109.819 -178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' GLY . . . . . . . . . . . . . . . -118.8 -167.96 14.01 Favored Glycine 0 N--CA 1.451 -0.357 0 N-CA-C 111.426 -0.67 . . . . 0.7 111.426 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 306' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' B' ' 6' ' ' THR . . . 114.98 -119.15 4.54 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.365 -0.921 . . . . 0.4 111.814 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 307' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -77.2 82.89 3.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.869 0.366 . . . . 1.91 110.077 176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 308' ' ' LEU . . . . . 0.921 ' HB2' ' HB2' ' B' ' 4' ' ' LYS . 97.3 mt -99.5 144.39 28.65 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.23 0.538 . . . . 0.24 111.607 -175.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 309' ' ' ILE . . . . . . . . . . . . . 8.5 tt -127.98 112.26 26.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.395 -0.82 . . . . 0.21 109.086 172.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 310' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 317' ' ' ALA . 44.3 t -96.47 139.15 33.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.8 -0.636 . . . . 1.36 111.247 -173.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 311' ' ' CYS . . . . . 0.714 ' SG ' ' HA ' ' A' ' 336' ' ' ARG . 36.3 t -75.23 146.79 40.85 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.727 -1.124 . . . . 0.2 111.086 178.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 312' ' ' ASP . . . . . 0.618 ' HA ' ' NH2' ' B' ' 2' ' ' ARG . 38.8 t70 -61.86 -64.92 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.253 -0.43 . . . . 0.66 110.965 174.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 313' ' ' GLY . . . . . . . . . . . . . . . -56.52 -27.96 55.14 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.734 -0.666 . . . . 0.37 114.606 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 314' ' ' CYS . . . . . . . . . . . . . 29.5 p -136.41 133.0 19.06 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 117.587 0.694 . . . . 1.34 110.262 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 315' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -62.63 0.42 1.49 Allowed 'Trans proline' 0 CA--C 1.534 0.512 0 C-N-CA 123.378 2.719 . . . . 0.52 113.942 -176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 316' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -60.28 140.12 57.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.768 0.318 . . . . 1.3 110.619 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 317' ' ' ALA . . . . . 0.715 ' O ' ' HA ' ' A' ' 299' ' ' CYS . . . -116.99 157.14 26.28 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.653 -0.869 . . . . 0.14 108.653 171.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 318' ' ' PHE . . . . . 0.539 ' HA ' ' SG ' ' A' ' 299' ' ' CYS . 49.3 m-85 -137.1 171.37 14.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.494 0.188 . . . . 0.21 110.57 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 319' ' ' HIS . . . . . 0.561 ' HB2' ' SG ' ' A' ' 322' ' ' CYS . 53.6 m80 -100.59 146.06 27.6 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.017 -0.735 . . . . 0.18 109.017 170.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 320' ' ' LEU . . . . . 0.536 ' HB3' ' O ' ' A' ' 327' ' ' LEU . 74.8 mt -55.85 -51.83 66.17 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.662 0.245 . . . . 0.27 111.662 -173.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -74.69 -19.84 60.1 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.266 0.469 . . . . 0.2 112.266 -176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 322' ' ' CYS . . . . . 0.597 ' HB3' HG11 ' A' ' 301' ' ' VAL . 73.1 m -78.26 -24.45 46.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.21 110.859 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 323' ' ' LEU . . . . . 0.405 HD21 ' CG ' ' A' ' 318' ' ' PHE . 75.6 mt -70.76 154.26 42.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.312 -0.404 . . . . 0.2 111.245 175.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 324' ' ' SER . . . . . . . . . . . . . 11.0 t -140.32 117.34 8.04 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 109.34 -0.615 . . . . 0.93 109.34 174.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 325' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.25 135.68 38.04 Favored 'Cis proline' 0 N--CA 1.463 -0.291 0 C-N-CA 123.36 -1.517 . . . . 0.61 112.063 -2.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -63.63 147.15 92.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.22 2.613 . . . . 0.42 113.006 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 320' ' ' LEU . 4.2 mm? -95.67 127.37 41.64 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.815 -0.63 . . . . 1.03 109.793 177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -87.75 -20.89 25.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.445 0.64 . . . . 3.15 110.3 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -137.69 153.67 49.77 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.165 -0.925 . . . . 1.57 110.345 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' ILE . . . . . 0.42 ' CD1' HD21 ' A' ' 320' ' ' LEU . 31.1 mm -80.16 117.68 68.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.074 -0.512 . . . . 0.28 110.942 -178.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -70.06 142.95 47.96 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.67 2.247 . . . . 0.29 112.604 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 36.6 m -103.28 106.85 17.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.873 -0.603 . . . . 1.66 109.728 178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' GLY . . . . . . . . . . . . . . . 141.54 -169.76 25.02 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.008 -0.837 . . . . 0.46 111.008 -173.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' THR . . . . . . . . . . . . . 14.7 p -77.22 106.72 9.13 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.292 0.568 . . . . 0.58 111.003 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' TRP . . . . . 0.495 ' HE3' ' HA ' ' A' ' 311' ' ' CYS . 87.6 t90 -92.85 143.89 25.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.873 -0.603 . . . . 0.29 109.719 179.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' ARG . . . . . 0.714 ' HA ' ' SG ' ' A' ' 311' ' ' CYS . 99.6 mtt180 -126.68 140.49 52.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.928 0.394 . . . . 1.99 111.024 -177.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' CYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 341' ' ' LEU . 18.5 p -76.65 177.68 7.33 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.933 -0.576 . . . . 0.63 109.973 177.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' SER . . . . . . . . . . . . . 7.8 p -56.53 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.625 0.25 . . . . 1.47 111.474 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' SER . . . . . . . . . . . . . 34.0 t -58.94 -42.55 90.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 1.67 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 336' ' ' ARG . 89.2 m -65.81 -40.52 91.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.646 -0.252 . . . . 0.57 111.495 178.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 337' ' ' CYS . 88.6 mt -65.73 -40.21 91.94 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.925 0.393 . . . . 0.85 110.55 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' GLN . . . . . 0.403 ' O ' ' HG2' ' A' ' 342' ' ' GLN . 35.4 tt0 -88.13 17.56 4.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.544 0.687 . . . . 1.93 110.268 178.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' ALA . . . . . . . . . . . . . . . -81.7 -4.1 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.259 0.552 . . . . 1.31 109.59 175.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' THR . . . . . . . . . . . . . 24.9 p -93.05 143.1 26.57 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.687 -0.857 . . . . 2.69 108.687 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 3.4 t -106.86 -1.44 9.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.379 0.609 . . . . 5.52 110.158 -172.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -69.32 -41.78 76.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.849 -0.614 . . . . 6.73 110.208 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -72.64 123.07 22.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 7.68 110.278 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.03 68.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 122.492 1.139 . . . . 9.19 110.23 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -109.31 123.5 36.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.096 -0.957 . . . . 10.48 111.054 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.44 149.43 39.53 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.744 2.296 . . . . 12.51 112.223 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' ARG . . . . . . . . . . . . . 22.1 mmm180 -76.15 82.32 2.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.903 -0.59 . . . . 14.87 111.047 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' ALA . . . . . . . . . . . . . . . -167.72 159.37 11.76 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.936 -0.575 . . . . 15.81 110.773 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 64.59 172.42 0.19 Allowed 'General case' 0 C--O 1.234 0.245 0 O-C-N 124.053 0.846 . . . . 17.69 112.636 176.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 115.355 -0.839 . . . . 18.81 109.119 -175.336 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.933 -0.395 . . . . 0.29 109.933 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.673 ' HD2' HD22 ' A' ' 295' ' ' ASN . 11.2 ttp180 -75.11 84.31 2.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.324 0.583 . . . . 0.69 109.678 -176.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.38 142.9 29.81 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.965 -0.561 . . . . 0.95 111.257 -171.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.921 ' HB2' ' HB2' ' A' ' 308' ' ' LEU . 25.4 mtpp -126.32 131.35 51.86 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.948 -0.569 . . . . 0.75 110.6 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -109.37 73.68 0.86 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.373 -0.603 . . . . 2.88 109.373 174.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.431 ' O ' ' HA2' ' A' ' 306' ' ' GLY . 81.7 p -97.6 177.1 5.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 1.03 110.362 -178.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.84 137.42 34.3 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.572 -0.529 . . . . 0.9 109.572 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.39 143.71 57.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.082 0.468 . . . . 3.09 110.596 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -87.04 -13.83 43.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.745 -0.661 . . . . 3.53 109.467 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.6 m . . . . . 0 C--O 1.247 0.942 0 CA-C-N 115.441 -0.8 . . . . 4.45 109.844 173.768 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_