data_4aiy_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 4aiy _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.393 0 N-CA-C 109.502 -1.439 . . . . 0.31 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.4 tt -119.28 -37.51 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.243 -1.151 . . . . 0.03 109.079 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.43 ' CG1' ' HG3' ' B' ' 4' ' ' GLN . 21.3 t -72.71 -57.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.365 -0.835 . . . . 0.0 109.466 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -57.83 -24.86 59.39 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.287 -0.883 . . . . 0.39 109.992 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -83.81 -37.17 22.88 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.29 -0.881 . . . . 0.23 110.76 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.2 -19.69 18.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.944 -1.098 . . . . 0.0 111.1 -178.455 -54.387 -43.148 -89.146 104.495 2.021 104.027 133.957 -73.346 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.58 20.98 6.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.996 -1.065 . . . . 0.08 109.719 179.78 -165.261 130.86 -131.936 105.018 2.023 103.779 177.09 69.338 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 p -119.35 -43.19 2.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.063 -1.023 . . . . 0.28 109.023 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.73 23.08 1.77 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.33 109.743 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 85.2 mt 61.58 122.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.15 110.736 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -79.9 157.79 26.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.489 -0.757 . . . . 0.04 108.964 179.401 -73.346 133.957 -89.146 104.027 2.021 104.495 -43.148 -54.387 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -88.16 162.09 16.9 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.192 -0.943 . . . . 0.24 109.106 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.59 -44.64 66.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.386 -0.821 . . . . 0.2 110.384 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -66.2 -26.94 67.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.987 -1.07 . . . . 0.52 109.956 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.93 -34.67 59.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.24 109.493 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.37 -28.93 65.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.419 -0.801 . . . . 0.02 109.98 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.72 -37.87 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.215 -0.928 . . . . 0.29 110.238 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -53.72 -30.11 42.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.018 -1.051 . . . . 0.41 110.124 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -90.52 -11.0 41.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.061 -1.025 . . . . 0.1 110.662 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.45 163.49 2.32 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.777 -1.202 . . . . 0.06 109.341 179.706 -155.823 65.979 172.734 103.893 2.018 103.892 -79.421 -75.32 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' B' ' 23' ' ' GLY . 20.2 t-20 . . . . . 0 C--N 1.3 -1.586 0 CA-C-O 117.964 -1.017 . . . . 0.41 109.556 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.434 0.635 . . . . 0.55 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.14 -28.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.213 -0.929 . . . . 0.05 109.483 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.76 -43.46 62.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.23 110.685 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.43 ' HG3' ' CG1' ' A' ' 3' ' ' VAL . 16.3 tt0 -57.62 -58.89 6.33 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.949 -1.095 . . . . 0.24 110.511 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' B' ' 5' ' ' HIS . 6.8 t60 -63.47 -12.38 31.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.328 -0.858 . . . . 0.06 111.097 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 mt -103.06 -53.88 2.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.828 -1.17 . . . . 0.04 110.068 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.8 p -63.62 -34.2 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.948 -1.095 . . . . 0.02 109.487 -179.75 69.338 177.09 -131.936 103.779 2.023 105.018 130.86 -165.261 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.69 -27.02 41.48 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -29.74 70.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 0.0 109.68 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.11 -26.5 21.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.192 -0.942 . . . . 0.03 109.878 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.22 -42.37 98.48 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.403 HG21 ' N ' ' B' ' 13' ' ' GLU . 16.8 m -63.89 -35.99 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.805 -0.56 . . . . 0.01 109.961 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.445 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 2.9 mt-10 -58.23 -43.2 87.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.966 -1.084 . . . . 0.05 108.842 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.417 ' CB ' ' H5 ' ' A' ' 22' ' ' IPH . . . -74.46 -37.28 63.29 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.22 -0.925 . . . . 0.01 109.44 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 mt -56.41 -66.06 0.5 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 110.424 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.474 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 0.0 OUTLIER -65.85 -10.75 40.91 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.065 -1.054 . . . . 0.02 110.76 -178.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.401 HD12 ' C5 ' ' G' ' 22' ' ' IPH . 4.0 tp -81.16 -44.65 17.57 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.873 -1.529 . . . . 0.1 106.873 177.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.1 t -68.79 -42.25 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 108.26 -1.015 . . . . 0.13 108.26 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -68.62 -25.59 64.92 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.457 -0.777 . . . . 0.05 109.146 179.801 -75.32 -79.421 172.734 103.892 2.018 103.893 65.979 -155.823 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.65 -100.68 0.77 Allowed Glycine 0 N--CA 1.485 1.954 0 N-CA-C 109.465 -1.454 . . . . 0.15 109.465 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -96.57 -24.52 16.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -1.139 . . . . 0.43 109.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 159.28 9.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.33 109.155 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 21' ' ' ASN . . . -98.64 -178.84 32.33 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.725 -1.35 . . . . 0.01 109.725 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 26.5 p90 -155.6 146.02 21.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.182 -1.187 . . . . 0.01 109.45 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' B' ' 25' ' ' PHE . 10.3 p90 -97.64 119.61 36.53 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.538 -0.865 . . . . 0.32 109.062 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -108.1 113.19 26.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.37 -0.831 . . . . 0.0 109.699 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 40.8 m -124.26 101.03 35.14 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.166 -0.959 . . . . 0.21 109.038 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' B' ' 30' ' ' THR . 34.7 Cg_endo -77.16 -17.68 14.87 Favored 'Trans proline' 0 C--O 1.215 -0.648 0 C-N-CA 121.391 1.394 . . . . 0.04 110.792 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 74.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.963 -1.086 . . . . 0.42 108.963 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 28' ' ' PRO . 32.0 m . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 117.952 -1.023 . . . . 0.41 109.564 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.467 -1.453 . . . . 0.3 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.12 -37.58 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -1.13 . . . . 0.03 109.073 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.428 HG12 ' CG ' ' D' ' 4' ' ' GLN . 21.5 t -72.57 -57.17 7.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.523 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.11 -24.48 58.85 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.431 -0.793 . . . . 0.39 109.949 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -84.0 -37.11 22.61 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.239 -0.913 . . . . 0.23 110.67 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -97.22 -19.74 18.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 111.1 -178.393 -54.299 -43.199 -89.101 104.519 2.02 104.172 133.709 -73.028 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -93.48 20.88 6.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.08 109.696 179.699 -165.235 130.656 -131.751 105.05 2.024 103.794 177.196 69.297 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -119.46 -42.79 2.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.28 109.001 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.97 22.89 1.74 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.33 109.695 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.421 HD12 ' CG ' ' L' ' 5' ' ' HIS . 84.8 mt 61.66 122.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.383 -0.823 . . . . 0.14 110.749 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -79.92 157.74 26.83 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.453 -0.779 . . . . 0.04 109.044 179.305 -73.028 133.709 -89.101 104.172 2.02 104.519 -43.199 -54.299 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.3 p -88.04 162.05 17.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.227 -0.921 . . . . 0.24 109.116 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.63 -44.5 66.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 0.2 110.287 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.32 -26.87 67.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.117 -0.989 . . . . 0.53 109.982 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -76.12 -34.61 59.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.052 -1.03 . . . . 0.23 109.467 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.23 -28.89 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.529 -0.732 . . . . 0.02 109.902 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.92 -37.95 77.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 0.29 110.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.5 -30.17 39.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.117 -0.989 . . . . 0.4 110.144 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -90.62 -10.74 42.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.158 -0.964 . . . . 0.1 110.603 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.94 162.79 3.07 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.789 -1.195 . . . . 0.06 109.499 179.605 -155.79 65.901 172.651 104.003 2.018 103.924 -78.977 -75.211 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' D' ' 23' ' ' GLY . 20.1 t-20 . . . . . 0 C--N 1.299 -1.609 0 CA-C-O 117.918 -1.039 . . . . 0.4 109.593 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.325 0.583 . . . . 0.55 109.432 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.23 -28.13 14.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.383 -0.823 . . . . 0.05 109.621 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.93 -43.41 63.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.23 110.591 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.428 ' CG ' HG12 ' C' ' 3' ' ' VAL . 16.3 tt0 -57.87 -58.92 6.26 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.95 -1.094 . . . . 0.24 110.484 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.435 ' CG ' HD12 ' G' ' 10' ' ' ILE . 7.0 t60 -63.26 -12.69 31.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.06 111.04 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 29.3 mt -102.93 -53.54 2.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.892 -1.13 . . . . 0.04 110.23 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.78 -34.33 77.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.958 -1.089 . . . . 0.02 109.427 -179.861 69.297 177.196 -131.751 103.794 2.024 105.05 130.656 -165.235 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.66 -26.83 40.6 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -30.17 70.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.356 -1.085 . . . . 0.0 109.688 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -88.69 -26.8 21.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.03 109.763 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.19 -42.01 97.83 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.407 HG21 ' N ' ' D' ' 13' ' ' GLU . 16.5 m -64.23 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.587 -0.695 . . . . 0.01 109.712 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' D' ' 16' ' ' TYR . 2.8 mt-10 -58.18 -42.63 86.5 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.05 109.013 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . 0.427 ' CB ' ' H5 ' ' C' ' 22' ' ' IPH . . . -74.91 -37.28 62.13 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.206 -0.933 . . . . 0.01 109.369 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.48 -65.66 0.57 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.4 -0.813 . . . . 0.0 110.52 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.477 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 0.0 OUTLIER -66.03 -10.99 45.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.02 110.734 -178.541 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -80.99 -44.72 17.7 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.949 -1.5 . . . . 0.11 106.949 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -68.63 -42.7 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.215 -1.032 . . . . 0.13 108.215 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.99 -25.77 65.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.521 -0.737 . . . . 0.05 109.18 179.685 -75.211 -78.977 172.651 103.924 2.018 104.003 65.901 -155.79 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.51 -100.88 0.78 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.351 -1.5 . . . . 0.15 109.351 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -96.26 -24.7 16.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.193 -1.18 . . . . 0.43 109.49 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 159.2 9.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.236 -0.915 . . . . 0.33 109.151 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' C' ' 21' ' ' ASN . . . -98.51 -178.74 32.51 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.749 -1.34 . . . . 0.01 109.749 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 25.9 p90 -155.72 145.74 21.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.265 -1.138 . . . . 0.01 109.481 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' D' ' 25' ' ' PHE . 10.8 p90 -97.32 119.52 36.0 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.513 -0.875 . . . . 0.32 109.104 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -107.98 113.89 27.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 109.534 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 42.0 m -124.88 101.01 33.08 Favored Pre-proline 0 C--N 1.3 -1.571 0 O-C-N 121.286 -0.883 . . . . 0.21 108.995 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.44 -17.26 14.7 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 121.198 1.265 . . . . 0.04 110.724 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 75.01 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.959 -1.088 . . . . 0.42 108.859 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.056 -0.973 . . . . 0.41 109.47 -179.802 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.426 -1.47 . . . . 0.3 109.426 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.05 -37.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.232 -1.158 . . . . 0.03 109.078 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.429 HG12 ' CG ' ' F' ' 4' ' ' GLN . 21.3 t -72.43 -57.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.374 -0.828 . . . . 0.0 109.556 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.13 -24.76 60.0 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.381 -0.824 . . . . 0.39 109.891 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -83.9 -36.75 23.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.219 -0.926 . . . . 0.23 110.702 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -97.65 -19.5 18.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.997 -1.064 . . . . 0.0 111.059 -178.419 -54.459 -43.17 -89.121 104.473 2.021 104.103 133.801 -73.11 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 t -93.51 20.73 6.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.042 -1.036 . . . . 0.08 109.587 179.667 -165.344 130.646 -131.688 104.989 2.023 103.804 177.229 69.165 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -118.87 -43.83 2.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.013 -1.055 . . . . 0.28 108.983 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.21 22.97 1.87 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.33 109.704 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 84.9 mt 61.67 122.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.518 -0.739 . . . . 0.15 110.758 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 64.5 m -79.69 157.72 27.14 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.04 -0.726 . . . . 0.04 109.04 179.333 -73.11 133.801 -89.121 104.103 2.021 104.473 -43.17 -54.459 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.2 -0.938 . . . . 0.24 109.138 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.34 -44.54 65.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.2 110.388 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -66.35 -26.92 67.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.017 -1.052 . . . . 0.52 109.919 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -76.06 -34.38 59.59 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.091 -1.006 . . . . 0.23 109.57 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.55 -28.85 65.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.02 109.982 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.87 -38.05 77.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.29 110.201 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -53.58 -29.92 39.67 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.993 . . . . 0.41 110.093 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -90.78 -10.78 41.6 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.071 -1.018 . . . . 0.1 110.642 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.65 163.16 2.62 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.792 -1.192 . . . . 0.06 109.426 179.614 -155.579 65.26 172.741 104.087 2.017 103.911 -78.699 -75.394 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' F' ' 23' ' ' GLY . 20.0 t-20 . . . . . 0 C--N 1.299 -1.609 0 CA-C-O 117.944 -1.026 . . . . 0.4 109.539 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.403 0.621 . . . . 0.55 109.596 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 33.3 m -78.11 -28.22 15.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.325 -0.859 . . . . 0.05 109.549 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.7 -43.64 62.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.23 110.683 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.429 ' CG ' HG12 ' E' ' 3' ' ' VAL . 16.5 tt0 -57.57 -59.05 5.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.033 -1.042 . . . . 0.24 110.484 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.427 ' O ' ' CD2' ' F' ' 5' ' ' HIS . 6.9 t60 -63.04 -12.9 29.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.06 111.055 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 29.1 mt -102.56 -54.14 2.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.836 -1.165 . . . . 0.04 110.165 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -63.31 -34.4 77.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 0.02 109.292 -179.735 69.165 177.229 -131.688 103.804 2.023 104.989 130.646 -165.344 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.59 -26.72 39.7 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -29.62 69.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.37 -1.076 . . . . 0.0 109.738 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.0 -26.81 21.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.03 109.831 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.97 -42.34 98.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.401 HG21 ' N ' ' F' ' 13' ' ' GLU . 16.5 m -64.1 -35.86 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.747 -0.596 . . . . 0.01 109.817 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.445 ' HA ' ' CE1' ' F' ' 16' ' ' TYR . 2.8 mt-10 -58.3 -43.12 87.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.029 -1.044 . . . . 0.05 108.847 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . 0.42 ' CB ' ' H5 ' ' E' ' 22' ' ' IPH . . . -74.52 -37.32 63.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.202 -0.936 . . . . 0.01 109.416 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -56.57 -65.94 0.53 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.476 -0.765 . . . . 0.0 110.395 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.484 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 0.0 OUTLIER -65.8 -10.79 40.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.02 110.699 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -81.35 -44.75 17.15 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.793 -1.558 . . . . 0.1 106.793 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.55 -42.25 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 108.307 -0.998 . . . . 0.13 108.307 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.546 -0.721 . . . . 0.05 109.177 179.711 -75.394 -78.699 172.741 103.911 2.017 104.087 65.26 -155.579 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.54 -100.73 0.76 Allowed Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.428 -1.469 . . . . 0.15 109.428 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.55 -24.57 15.99 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.121 -1.223 . . . . 0.43 109.508 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 159.49 9.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.111 -0.993 . . . . 0.33 109.035 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.415 ' O ' ' CB ' ' E' ' 21' ' ' ASN . . . -98.81 -178.37 32.14 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.625 -1.39 . . . . 0.01 109.625 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 25.6 p90 -155.93 145.73 21.22 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.276 -1.132 . . . . 0.01 109.477 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' F' ' 25' ' ' PHE . 10.8 p90 -97.35 119.69 36.33 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.32 109.002 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -108.18 113.65 26.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.365 -0.834 . . . . 0.0 109.551 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 44.3 m -124.69 100.98 33.77 Favored Pre-proline 0 C--N 1.3 -1.558 0 O-C-N 121.227 -0.921 . . . . 0.22 108.789 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -77.23 -17.24 15.06 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 C-N-CA 121.281 1.321 . . . . 0.04 110.764 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 74.92 0.43 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.968 -1.083 . . . . 0.41 108.971 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.99 -1.005 . . . . 0.43 109.449 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.555 0 N-CA-C 109.48 -1.448 . . . . 0.31 109.48 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 15.4 tt -119.12 -37.39 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -1.141 . . . . 0.03 109.065 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.429 ' CG1' ' HG3' ' H' ' 4' ' ' GLN . 21.4 t -72.84 -57.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.294 -0.878 . . . . 0.0 109.536 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.2 -24.55 59.5 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.463 -0.773 . . . . 0.4 109.901 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -84.11 -36.76 22.72 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.235 -0.916 . . . . 0.23 110.71 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -97.66 -19.46 18.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 110.976 -178.345 -54.549 -43.049 -89.018 104.465 2.022 104.146 133.862 -73.194 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 11.8 t -93.73 21.05 6.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.088 -1.008 . . . . 0.08 109.695 179.569 -165.123 130.808 -132.01 104.979 2.023 103.815 177.222 69.375 1 1 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -119.58 -42.9 2.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.042 -1.037 . . . . 0.27 109.012 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.9 23.02 1.74 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.338 -0.851 . . . . 0.31 109.672 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.435 HD12 ' CG ' ' D' ' 5' ' ' HIS . 85.3 mt 61.58 121.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.438 -0.789 . . . . 0.14 110.627 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.44 157.8 27.46 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.488 -0.757 . . . . 0.04 109.069 179.314 -73.194 133.862 -89.018 104.146 2.022 104.465 -43.049 -54.549 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -88.06 162.29 16.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.24 109.2 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.68 -44.64 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.21 110.315 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.25 -26.94 67.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.061 -1.024 . . . . 0.53 110.034 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.93 -34.82 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.084 -1.01 . . . . 0.24 109.57 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.05 -29.45 66.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.795 . . . . 0.02 109.936 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.39 -38.27 76.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.957 . . . . 0.29 110.219 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -53.27 -30.03 36.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.039 -1.038 . . . . 0.41 110.131 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -90.8 -10.56 42.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.147 -0.971 . . . . 0.1 110.61 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.87 163.3 2.74 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.73 -1.231 . . . . 0.06 109.394 179.699 -155.791 65.73 173.063 104.011 2.018 103.898 -79.255 -75.215 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' H' ' 23' ' ' GLY . 20.3 t-20 . . . . . 0 C--N 1.299 -1.598 0 CA-C-O 118.005 -0.998 . . . . 0.41 109.514 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.457 0.646 . . . . 0.55 109.555 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.22 -28.14 14.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.353 -0.842 . . . . 0.05 109.498 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.97 -43.38 63.54 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.141 -0.974 . . . . 0.22 110.668 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.429 ' HG3' ' CG1' ' G' ' 3' ' ' VAL . 16.4 tt0 -57.78 -58.91 6.31 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.857 -1.152 . . . . 0.23 110.577 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' H' ' 5' ' ' HIS . 6.9 t60 -63.2 -12.7 30.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.06 111.029 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 29.2 mt -102.87 -53.9 2.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.933 -1.105 . . . . 0.04 110.086 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 p -63.58 -34.18 77.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.07 . . . . 0.02 109.495 -179.818 69.375 177.222 -132.01 103.815 2.023 104.979 130.808 -165.123 1 1 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.52 41.35 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -29.61 69.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.374 -1.074 . . . . 0.0 109.712 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.07 -26.94 21.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.122 -0.986 . . . . 0.04 109.779 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.95 -41.85 97.11 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 16.6 m -64.27 -36.39 76.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.823 -0.548 . . . . 0.01 109.707 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.432 ' HA ' ' CE1' ' H' ' 16' ' ' TYR . 2.9 mt-10 -57.81 -43.1 85.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.057 -1.027 . . . . 0.05 108.985 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . 0.424 ' CB ' ' H5 ' ' G' ' 22' ' ' IPH . . . -74.72 -36.87 62.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.855 . . . . 0.01 109.487 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 26.2 mt -56.81 -65.84 0.55 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.435 -0.79 . . . . 0.0 110.503 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.486 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 0.0 OUTLIER -65.98 -10.63 41.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.971 -1.081 . . . . 0.02 110.728 -178.508 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -81.33 -44.62 17.36 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.972 -1.492 . . . . 0.1 106.972 176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 89.6 t -68.86 -41.91 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.207 -1.034 . . . . 0.14 108.207 178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.79 -25.6 64.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.541 -0.725 . . . . 0.05 109.244 179.633 -75.215 -79.255 173.063 103.898 2.018 104.011 65.73 -155.791 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.5 -100.82 0.77 Allowed Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.327 -1.509 . . . . 0.15 109.327 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -96.29 -25.06 15.91 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.19 -1.183 . . . . 0.43 109.439 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 159.1 8.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.253 -0.904 . . . . 0.34 109.125 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.421 ' O ' ' CB ' ' G' ' 21' ' ' ASN . . . -98.96 -178.49 31.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.488 -1.445 . . . . 0.01 109.488 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.486 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 26.6 p90 -155.67 146.07 21.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.284 -1.127 . . . . 0.01 109.558 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' H' ' 25' ' ' PHE . 10.7 p90 -97.5 119.49 36.14 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.546 -0.862 . . . . 0.32 109.064 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -108.09 113.11 26.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.45 -0.781 . . . . 0.0 109.695 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -124.24 101.07 35.18 Favored Pre-proline 0 C--N 1.3 -1.57 0 O-C-N 121.229 -0.919 . . . . 0.21 108.922 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -77.41 -17.3 14.72 Favored 'Trans proline' 0 C--O 1.217 -0.567 0 C-N-CA 121.272 1.315 . . . . 0.04 110.675 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 75.04 0.44 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.023 -1.048 . . . . 0.42 108.904 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.05 -0.976 . . . . 0.41 109.425 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 N-CA-C 109.404 -1.478 . . . . 0.31 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.46 -37.52 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.233 -1.157 . . . . 0.03 109.114 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.431 ' CG1' ' HG3' ' J' ' 4' ' ' GLN . 21.3 t -72.73 -57.15 7.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.432 -0.792 . . . . 0.0 109.511 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.95 -24.79 59.45 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.448 -0.783 . . . . 0.39 109.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -83.86 -37.25 22.68 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.157 -0.964 . . . . 0.23 110.703 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 57.4 m -97.2 -19.22 18.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 111.171 -178.453 -54.347 -42.993 -89.245 104.471 2.02 104.045 133.89 -73.001 1 1 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 12.0 t -93.84 20.9 7.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.996 -1.065 . . . . 0.08 109.637 179.635 -165.273 130.582 -131.792 105.077 2.024 103.779 177.264 69.395 1 1 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -119.3 -43.63 2.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.031 -1.043 . . . . 0.27 108.976 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.35 22.98 1.84 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.405 -0.809 . . . . 0.32 109.724 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.408 HD12 ' CG ' ' B' ' 5' ' ' HIS . 85.1 mt 61.58 122.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.671 0.748 . . . . 0.15 110.648 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.83 157.93 26.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.422 -0.799 . . . . 0.03 109.072 179.155 -73.001 133.89 -89.245 104.045 2.02 104.471 -42.993 -54.347 1 1 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 12.5 p -88.28 161.77 16.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -0.915 . . . . 0.24 109.156 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.42 -44.51 65.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.321 -0.862 . . . . 0.21 110.306 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -66.3 -26.73 67.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.54 109.985 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -76.35 -34.49 58.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.24 109.489 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.31 -29.17 65.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.504 -0.747 . . . . 0.02 109.94 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.69 -37.93 77.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.28 110.136 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -53.77 -29.73 41.34 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.031 -1.043 . . . . 0.41 110.089 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -90.9 -11.05 40.33 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.1 110.686 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.39 163.2 2.41 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.825 -1.172 . . . . 0.06 109.385 179.651 -155.674 65.645 173.121 104.002 2.018 103.949 -79.073 -75.264 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' J' ' 23' ' ' GLY . 20.0 t-20 . . . . . 0 C--N 1.299 -1.615 0 CA-C-O 117.928 -1.034 . . . . 0.4 109.584 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.464 0.649 . . . . 0.56 109.556 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 33.3 m -78.49 -27.9 14.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.875 . . . . 0.05 109.455 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -43.57 63.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.23 110.697 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.431 ' HG3' ' CG1' ' I' ' 3' ' ' VAL . 16.4 tt0 -57.64 -58.78 6.83 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.908 -1.12 . . . . 0.24 110.525 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' J' ' 5' ' ' HIS . 7.0 t60 -63.34 -12.69 31.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.06 111.078 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -102.79 -54.07 2.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.04 110.039 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 p -63.22 -34.65 78.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.027 -1.045 . . . . 0.02 109.37 -179.812 69.395 177.264 -131.792 103.779 2.024 105.077 130.582 -165.273 1 1 . 1 . 001 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.4 -26.55 37.72 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -29.73 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.404 -1.056 . . . . 0.0 109.744 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.12 -26.47 21.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.03 109.766 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.29 -42.06 98.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.41 HG21 ' N ' ' J' ' 13' ' ' GLU . 16.7 m -64.33 -36.24 76.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.665 -0.647 . . . . 0.01 109.866 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.436 ' HA ' ' CE1' ' J' ' 16' ' ' TYR . 2.8 mt-10 -57.79 -42.83 84.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.934 -1.103 . . . . 0.05 109.014 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . 0.43 ' CB ' ' H5 ' ' I' ' 22' ' ' IPH . . . -74.79 -37.34 62.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.231 -0.918 . . . . 0.01 109.357 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 26.0 mt -56.43 -65.98 0.52 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 0.0 110.356 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 0.0 OUTLIER -65.81 -10.51 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.02 110.754 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.421 HD12 ' C5 ' ' C' ' 22' ' ' IPH . 3.9 tp -81.64 -44.13 17.62 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.952 -1.499 . . . . 0.1 106.952 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -69.22 -41.98 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.237 -1.023 . . . . 0.14 108.237 178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -69.0 -25.26 64.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.474 -0.766 . . . . 0.05 109.234 179.743 -75.264 -79.073 173.121 103.949 2.018 104.002 65.645 -155.674 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.22 -100.87 0.75 Allowed Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.425 -1.47 . . . . 0.15 109.425 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.5 -24.04 16.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -1.218 . . . . 0.43 109.446 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 159.14 11.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.064 -1.023 . . . . 0.34 109.064 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.418 ' O ' ' CB ' ' I' ' 21' ' ' ASN . . . -98.33 -178.71 32.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.694 -1.362 . . . . 0.01 109.694 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 26.4 p90 -155.77 145.77 21.46 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.292 -1.122 . . . . 0.01 109.455 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' J' ' 25' ' ' PHE . 10.6 p90 -97.28 119.49 35.89 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.532 -0.867 . . . . 0.32 109.027 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -107.94 113.8 27.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.388 -0.82 . . . . 0.0 109.535 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 44.1 m -124.61 100.6 34.5 Favored Pre-proline 0 C--N 1.301 -1.522 0 O-C-N 121.193 -0.942 . . . . 0.22 108.981 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -76.92 -17.1 15.71 Favored 'Trans proline' 0 C--O 1.215 -0.66 0 C-N-CA 121.305 1.337 . . . . 0.05 110.891 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 74.71 0.52 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.07 -1.019 . . . . 0.42 109.031 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.067 -0.968 . . . . 0.41 109.425 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.447 0 N-CA-C 109.414 -1.474 . . . . 0.3 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -119.12 -37.39 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.258 -1.142 . . . . 0.03 109.032 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.429 ' CG1' ' HG3' ' L' ' 4' ' ' GLN . 21.4 t -72.77 -57.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.333 -0.855 . . . . 0.0 109.509 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -57.89 -24.86 59.58 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.423 -0.798 . . . . 0.39 109.891 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -83.76 -36.75 23.38 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.258 -0.901 . . . . 0.23 110.808 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.61 -19.67 18.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.05 -1.032 . . . . 0.0 111.012 -178.423 -54.351 -43.127 -88.91 104.423 2.021 104.153 133.827 -73.199 1 1 . 1 . 001 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 11.8 t -93.52 20.9 6.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.126 -0.984 . . . . 0.08 109.694 179.717 -165.127 130.681 -132.053 105.001 2.023 103.846 177.383 69.295 1 1 . 1 . 001 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -119.23 -43.54 2.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.014 -1.054 . . . . 0.28 108.893 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.2 22.93 1.87 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.349 -0.845 . . . . 0.33 109.681 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 84.8 mt 61.57 121.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.465 -0.772 . . . . 0.14 110.731 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.59 157.86 27.23 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.536 -0.728 . . . . 0.04 109.043 179.379 -73.199 133.827 -88.91 104.153 2.021 104.423 -43.127 -54.351 1 1 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -88.06 162.11 16.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.884 . . . . 0.24 109.165 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.71 -44.66 66.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.905 . . . . 0.2 110.302 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -66.13 -26.99 67.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.998 -1.064 . . . . 0.52 109.98 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -76.09 -34.44 59.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.23 109.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.48 -28.97 65.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.412 -0.805 . . . . 0.02 109.934 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.77 -38.17 77.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.29 110.219 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -53.45 -30.13 39.16 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.05 -1.031 . . . . 0.41 110.081 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -90.51 -10.87 41.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.026 -1.046 . . . . 0.1 110.636 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.68 162.97 2.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.771 -1.206 . . . . 0.06 109.54 179.708 -155.917 65.659 172.93 103.926 2.017 104.017 -78.923 -75.307 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' L' ' 23' ' ' GLY . 20.1 t-20 . . . . . 0 C--N 1.301 -1.537 0 CA-C-O 117.929 -1.034 . . . . 0.41 109.627 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.344 0.593 . . . . 0.55 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.03 -28.09 15.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.337 -0.852 . . . . 0.05 109.659 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.86 -43.29 63.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.22 110.652 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.429 ' HG3' ' CG1' ' K' ' 3' ' ' VAL . 16.2 tt0 -58.01 -58.74 7.07 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.915 -1.116 . . . . 0.25 110.504 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.426 ' O ' ' CD2' ' L' ' 5' ' ' HIS . 6.9 t60 -63.44 -12.41 31.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -0.862 . . . . 0.06 111.131 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 mt -103.18 -53.4 2.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.831 -1.168 . . . . 0.04 110.072 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.94 -34.37 77.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.058 -1.026 . . . . 0.02 109.374 -179.825 69.295 177.383 -132.053 103.846 2.023 105.001 130.681 -165.127 1 1 . 1 . 001 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.69 -26.69 40.3 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -29.67 69.93 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -1.078 . . . . 0.0 109.751 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -89.13 -26.58 21.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.03 109.784 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 mt -61.15 -41.9 97.59 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.413 HG21 ' N ' ' L' ' 13' ' ' GLU . 16.6 m -64.53 -35.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.605 -0.684 . . . . 0.01 109.818 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.439 ' HA ' ' CE1' ' L' ' 16' ' ' TYR . 2.8 mt-10 -58.18 -42.9 87.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.05 -1.031 . . . . 0.05 108.943 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' H5 ' ' K' ' 22' ' ' IPH . . . -74.65 -37.59 62.71 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.209 -0.932 . . . . 0.01 109.371 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 26.3 mt -56.16 -66.21 0.47 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.533 -0.729 . . . . 0.0 110.367 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 0.0 OUTLIER -65.73 -10.69 39.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.987 -1.071 . . . . 0.02 110.75 -178.488 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 tp -81.39 -44.63 17.27 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.877 -1.527 . . . . 0.11 106.877 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.59 -42.5 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.258 -1.016 . . . . 0.14 108.258 178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -68.49 -25.54 65.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.598 -0.689 . . . . 0.05 109.196 179.79 -75.307 -78.923 172.93 104.017 2.017 103.926 65.659 -155.917 1 1 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.55 -100.61 0.76 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.5 -1.44 . . . . 0.15 109.5 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.61 -24.63 15.93 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.198 -1.177 . . . . 0.43 109.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 159.19 9.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.173 -0.954 . . . . 0.33 109.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' K' ' 21' ' ' ASN . . . -98.7 -178.48 32.29 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.504 -1.439 . . . . 0.01 109.504 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 25.6 p90 -155.65 146.03 21.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.184 -1.186 . . . . 0.01 109.523 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' L' ' 25' ' ' PHE . 10.6 p90 -97.42 119.52 36.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.343 -0.848 . . . . 0.32 109.066 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -108.03 113.5 26.71 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.536 -0.727 . . . . 0.0 109.653 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 42.9 m -124.64 100.67 34.31 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.304 -0.873 . . . . 0.22 109.029 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -77.2 -16.82 15.37 Favored 'Trans proline' 0 C--O 1.215 -0.661 0 C-N-CA 121.377 1.385 . . . . 0.04 110.779 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 74.58 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.001 -1.062 . . . . 0.42 108.941 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 118.009 -0.996 . . . . 0.43 109.49 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.417 ' H5 ' ' CB ' ' B' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.427 ' H5 ' ' CB ' ' D' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.42 ' H5 ' ' CB ' ' F' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.424 ' H5 ' ' CB ' ' H' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.43 ' H5 ' ' CB ' ' J' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.425 ' H5 ' ' CB ' ' L' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.393 0 N-CA-C 109.502 -1.439 . . . . 0.31 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.754 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.4 tt -119.28 -37.51 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.243 -1.151 . . . . 0.03 109.079 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.59 HG11 ' CG ' ' B' ' 4' ' ' GLN . 21.3 t -72.71 -57.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.365 -0.835 . . . . 0.0 109.466 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -57.83 -24.86 59.39 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.287 -0.883 . . . . 0.39 109.992 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -83.81 -37.17 22.88 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.29 -0.881 . . . . 0.23 110.76 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.2 -19.69 18.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.944 -1.098 . . . . 0.0 111.1 -178.455 -54.387 -43.148 -89.146 104.495 2.021 104.027 133.957 -73.346 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' C ' HG11 ' F' ' 2' ' ' VAL . 12.0 t -93.58 20.98 6.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.996 -1.065 . . . . 0.08 109.719 179.78 -165.261 130.86 -131.936 105.018 2.023 103.779 177.09 69.338 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.423 ' O ' HG13 ' F' ' 2' ' ' VAL . 17.6 p -119.35 -43.19 2.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.063 -1.023 . . . . 0.28 109.023 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.73 23.08 1.77 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.33 109.743 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' F' ' 5' ' ' HIS . 85.2 mt 61.58 122.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.15 110.736 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -79.9 157.79 26.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.489 -0.757 . . . . 0.04 108.964 179.401 -73.346 133.957 -89.146 104.027 2.021 104.495 -43.148 -54.387 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -88.16 162.09 16.9 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.192 -0.943 . . . . 0.24 109.106 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.59 -44.64 66.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.386 -0.821 . . . . 0.2 110.384 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -66.2 -26.94 67.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.987 -1.07 . . . . 0.52 109.956 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.93 -34.67 59.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.24 109.493 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.37 -28.93 65.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.419 -0.801 . . . . 0.02 109.98 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.72 -37.87 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.215 -0.928 . . . . 0.29 110.238 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -53.72 -30.11 42.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.018 -1.051 . . . . 0.41 110.124 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.754 ' CD1' HD12 ' A' ' 2' ' ' ILE . 57.2 m-85 -90.52 -11.0 41.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.061 -1.025 . . . . 0.1 110.662 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.45 163.49 2.32 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.777 -1.202 . . . . 0.06 109.341 179.706 -155.823 65.979 172.734 103.893 2.018 103.892 -79.421 -75.32 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' B' ' 23' ' ' GLY . 20.2 t-20 . . . . . 0 C--N 1.3 -1.586 0 CA-C-O 117.964 -1.017 . . . . 0.41 109.556 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.434 0.635 . . . . 0.55 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.52 HG11 ' C ' ' I' ' 7' ' ' CYS . 33.4 m -78.14 -28.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.213 -0.929 . . . . 0.05 109.483 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.76 -43.46 62.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.23 110.685 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.59 ' CG ' HG11 ' A' ' 3' ' ' VAL . 16.3 tt0 -57.62 -58.89 6.33 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.949 -1.095 . . . . 0.24 110.511 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.574 ' CB ' HD11 ' I' ' 10' ' ' ILE . 6.8 t60 -63.47 -12.38 31.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.328 -0.858 . . . . 0.06 111.097 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.495 HD21 ' H3 ' ' I' ' 22' ' ' IPH . 29.2 mt -103.06 -53.88 2.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.828 -1.17 . . . . 0.04 110.068 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.8 p -63.62 -34.2 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.948 -1.095 . . . . 0.02 109.487 -179.75 69.338 177.09 -131.936 103.779 2.023 105.018 130.86 -165.261 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.69 -27.02 41.48 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -29.74 70.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 0.0 109.68 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.11 -26.5 21.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.192 -0.942 . . . . 0.03 109.878 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.22 -42.37 98.48 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.403 HG12 ' HE2' ' B' ' 24' ' ' PHE . 16.8 m -63.89 -35.99 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.805 -0.56 . . . . 0.01 109.961 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.451 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 2.9 mt-10 -58.23 -43.2 87.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.966 -1.084 . . . . 0.05 108.842 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.587 ' HB2' ' H5 ' ' A' ' 22' ' ' IPH . . . -74.46 -37.28 63.29 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.22 -0.925 . . . . 0.01 109.44 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' B' ' 15' ' ' LEU . 25.0 mt -56.41 -66.06 0.5 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 110.424 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.493 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 0.0 OUTLIER -65.85 -10.75 40.91 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.065 -1.054 . . . . 0.02 110.76 -178.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB1' ' H' ' 14' ' ' ALA . 4.0 tp -81.16 -44.65 17.57 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.873 -1.529 . . . . 0.1 106.873 177.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 14' ' ' ALA . 94.1 t -68.79 -42.25 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 108.26 -1.015 . . . . 0.13 108.26 178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -68.62 -25.59 64.92 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.457 -0.777 . . . . 0.05 109.146 179.801 -75.32 -79.421 172.734 103.892 2.018 103.893 65.979 -155.823 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.65 -100.68 0.77 Allowed Glycine 0 N--CA 1.485 1.954 0 N-CA-C 109.465 -1.454 . . . . 0.15 109.465 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -96.57 -24.52 16.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -1.139 . . . . 0.43 109.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 159.28 9.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.33 109.155 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -98.64 -178.84 32.33 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.725 -1.35 . . . . 0.01 109.725 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 26.5 p90 -155.6 146.02 21.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.182 -1.187 . . . . 0.01 109.45 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' B' ' 25' ' ' PHE . 10.3 p90 -97.64 119.61 36.53 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.538 -0.865 . . . . 0.32 109.062 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -108.1 113.19 26.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.37 -0.831 . . . . 0.0 109.699 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.428 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 40.8 m -124.26 101.03 35.14 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.166 -0.959 . . . . 0.21 109.038 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.468 ' HA ' HG21 ' A' ' 3' ' ' VAL . 34.7 Cg_endo -77.16 -17.68 14.87 Favored 'Trans proline' 0 C--O 1.215 -0.648 0 C-N-CA 121.391 1.394 . . . . 0.04 110.792 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 74.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.963 -1.086 . . . . 0.42 108.963 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 28' ' ' PRO . 32.0 m . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 117.952 -1.023 . . . . 0.41 109.564 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.467 -1.453 . . . . 0.3 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.754 HD12 ' CD1' ' C' ' 19' ' ' TYR . 15.3 tt -119.12 -37.58 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -1.13 . . . . 0.03 109.073 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.577 HG11 ' CG ' ' D' ' 4' ' ' GLN . 21.5 t -72.57 -57.17 7.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.523 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.11 -24.48 58.85 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.431 -0.793 . . . . 0.39 109.949 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -84.0 -37.11 22.61 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.239 -0.913 . . . . 0.23 110.67 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -97.22 -19.74 18.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 111.1 -178.393 -54.299 -43.199 -89.101 104.519 2.02 104.172 133.709 -73.028 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.477 ' C ' HG11 ' L' ' 2' ' ' VAL . 11.9 t -93.48 20.88 6.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.08 109.696 179.699 -165.235 130.656 -131.751 105.05 2.024 103.794 177.196 69.297 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.414 ' O ' HG13 ' L' ' 2' ' ' VAL . 17.4 p -119.46 -42.79 2.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.28 109.001 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.97 22.89 1.74 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.33 109.695 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.591 HD11 ' CB ' ' L' ' 5' ' ' HIS . 84.8 mt 61.66 122.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.383 -0.823 . . . . 0.14 110.749 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -79.92 157.74 26.83 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.453 -0.779 . . . . 0.04 109.044 179.305 -73.028 133.709 -89.101 104.172 2.02 104.519 -43.199 -54.299 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.3 p -88.04 162.05 17.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.227 -0.921 . . . . 0.24 109.116 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.63 -44.5 66.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 0.2 110.287 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.32 -26.87 67.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.117 -0.989 . . . . 0.53 109.982 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -76.12 -34.61 59.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.052 -1.03 . . . . 0.23 109.467 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.23 -28.89 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.529 -0.732 . . . . 0.02 109.902 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.92 -37.95 77.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 0.29 110.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.5 -30.17 39.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.117 -0.989 . . . . 0.4 110.144 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' TYR . . . . . 0.754 ' CD1' HD12 ' C' ' 2' ' ' ILE . 56.1 m-85 -90.62 -10.74 42.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.158 -0.964 . . . . 0.1 110.603 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.94 162.79 3.07 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.789 -1.195 . . . . 0.06 109.499 179.605 -155.79 65.901 172.651 104.003 2.018 103.924 -78.977 -75.211 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' D' ' 23' ' ' GLY . 20.1 t-20 . . . . . 0 C--N 1.299 -1.609 0 CA-C-O 117.918 -1.039 . . . . 0.4 109.593 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.325 0.583 . . . . 0.55 109.432 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.538 HG11 ' C ' ' G' ' 7' ' ' CYS . 33.5 m -78.23 -28.13 14.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.383 -0.823 . . . . 0.05 109.621 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.93 -43.41 63.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.23 110.591 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.577 ' CG ' HG11 ' C' ' 3' ' ' VAL . 16.3 tt0 -57.87 -58.92 6.26 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.95 -1.094 . . . . 0.24 110.484 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.61 ' CB ' HD11 ' G' ' 10' ' ' ILE . 7.0 t60 -63.26 -12.69 31.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.06 111.04 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.484 HD21 ' H3 ' ' G' ' 22' ' ' IPH . 29.3 mt -102.93 -53.54 2.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.892 -1.13 . . . . 0.04 110.23 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.78 -34.33 77.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.958 -1.089 . . . . 0.02 109.427 -179.861 69.297 177.196 -131.751 103.794 2.024 105.05 130.656 -165.235 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.66 -26.83 40.6 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -30.17 70.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.356 -1.085 . . . . 0.0 109.688 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -88.69 -26.8 21.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.03 109.763 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.19 -42.01 97.83 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -64.23 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.587 -0.695 . . . . 0.01 109.712 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.431 ' HA ' ' CE1' ' D' ' 16' ' ' TYR . 2.8 mt-10 -58.18 -42.63 86.5 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.05 109.013 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.592 ' HB2' ' H5 ' ' C' ' 22' ' ' IPH . . . -74.91 -37.28 62.13 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.206 -0.933 . . . . 0.01 109.369 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' D' ' 15' ' ' LEU . 26.2 mt -56.48 -65.66 0.57 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.4 -0.813 . . . . 0.0 110.52 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.496 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 0.0 OUTLIER -66.03 -10.99 45.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.02 110.734 -178.541 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.55 HD21 ' HB1' ' J' ' 14' ' ' ALA . 4.0 tp -80.99 -44.72 17.7 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.949 -1.5 . . . . 0.11 106.949 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.467 HG23 ' O ' ' D' ' 14' ' ' ALA . 93.2 t -68.63 -42.7 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.215 -1.032 . . . . 0.13 108.215 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.99 -25.77 65.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.521 -0.737 . . . . 0.05 109.18 179.685 -75.211 -78.977 172.651 103.924 2.018 104.003 65.901 -155.79 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.51 -100.88 0.78 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.351 -1.5 . . . . 0.15 109.351 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -96.26 -24.7 16.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.193 -1.18 . . . . 0.43 109.49 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 159.2 9.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.236 -0.915 . . . . 0.33 109.151 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.439 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -98.51 -178.74 32.51 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.749 -1.34 . . . . 0.01 109.749 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 25.9 p90 -155.72 145.74 21.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.265 -1.138 . . . . 0.01 109.481 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' D' ' 25' ' ' PHE . 10.8 p90 -97.32 119.52 36.0 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.513 -0.875 . . . . 0.32 109.104 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -107.98 113.89 27.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 109.534 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.425 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 42.0 m -124.88 101.01 33.08 Favored Pre-proline 0 C--N 1.3 -1.571 0 O-C-N 121.286 -0.883 . . . . 0.21 108.995 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.478 ' HA ' HG21 ' C' ' 3' ' ' VAL . 34.9 Cg_endo -77.44 -17.26 14.7 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 121.198 1.265 . . . . 0.04 110.724 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 75.01 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.959 -1.088 . . . . 0.42 108.859 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.056 -0.973 . . . . 0.41 109.47 -179.802 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.426 -1.47 . . . . 0.3 109.426 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.761 HD12 ' CD1' ' E' ' 19' ' ' TYR . 15.3 tt -119.05 -37.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.232 -1.158 . . . . 0.03 109.078 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.579 HG11 ' CG ' ' F' ' 4' ' ' GLN . 21.3 t -72.43 -57.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.374 -0.828 . . . . 0.0 109.556 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.13 -24.76 60.0 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.381 -0.824 . . . . 0.39 109.891 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -83.9 -36.75 23.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.219 -0.926 . . . . 0.23 110.702 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -97.65 -19.5 18.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.997 -1.064 . . . . 0.0 111.059 -178.419 -54.459 -43.17 -89.121 104.473 2.021 104.103 133.801 -73.11 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.465 ' C ' HG11 ' J' ' 2' ' ' VAL . 12.1 t -93.51 20.73 6.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.042 -1.036 . . . . 0.08 109.587 179.667 -165.344 130.646 -131.688 104.989 2.023 103.804 177.229 69.165 2 2 . 1 . 001 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -118.87 -43.83 2.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.013 -1.055 . . . . 0.28 108.983 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.21 22.97 1.87 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.33 109.704 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.545 HD11 ' CB ' ' J' ' 5' ' ' HIS . 84.9 mt 61.67 122.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.518 -0.739 . . . . 0.15 110.758 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 64.5 m -79.69 157.72 27.14 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.04 -0.726 . . . . 0.04 109.04 179.333 -73.11 133.801 -89.121 104.103 2.021 104.473 -43.17 -54.459 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.2 -0.938 . . . . 0.24 109.138 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.34 -44.54 65.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.2 110.388 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -66.35 -26.92 67.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.017 -1.052 . . . . 0.52 109.919 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -76.06 -34.38 59.59 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.091 -1.006 . . . . 0.23 109.57 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.55 -28.85 65.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.02 109.982 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.87 -38.05 77.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.29 110.201 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -53.58 -29.92 39.67 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.993 . . . . 0.41 110.093 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' TYR . . . . . 0.761 ' CD1' HD12 ' E' ' 2' ' ' ILE . 56.4 m-85 -90.78 -10.78 41.6 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.071 -1.018 . . . . 0.1 110.642 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.65 163.16 2.62 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.792 -1.192 . . . . 0.06 109.426 179.614 -155.579 65.26 172.741 104.087 2.017 103.911 -78.699 -75.394 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' F' ' 23' ' ' GLY . 20.0 t-20 . . . . . 0 C--N 1.299 -1.609 0 CA-C-O 117.944 -1.026 . . . . 0.4 109.539 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.403 0.621 . . . . 0.55 109.596 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.489 HG11 ' C ' ' A' ' 7' ' ' CYS . 33.3 m -78.11 -28.22 15.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.325 -0.859 . . . . 0.05 109.549 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.7 -43.64 62.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.23 110.683 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.579 ' CG ' HG11 ' E' ' 3' ' ' VAL . 16.5 tt0 -57.57 -59.05 5.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.033 -1.042 . . . . 0.24 110.484 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.565 ' CB ' HD11 ' A' ' 10' ' ' ILE . 6.9 t60 -63.04 -12.9 29.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.06 111.055 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.495 HD21 ' H3 ' ' A' ' 22' ' ' IPH . 29.1 mt -102.56 -54.14 2.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.836 -1.165 . . . . 0.04 110.165 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -63.31 -34.4 77.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 0.02 109.292 -179.735 69.165 177.229 -131.688 103.804 2.023 104.989 130.646 -165.344 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.59 -26.72 39.7 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -29.62 69.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.37 -1.076 . . . . 0.0 109.738 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.0 -26.81 21.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.03 109.831 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.97 -42.34 98.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.412 HG12 ' HE2' ' F' ' 24' ' ' PHE . 16.5 m -64.1 -35.86 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.747 -0.596 . . . . 0.01 109.817 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.449 ' HA ' ' CE1' ' F' ' 16' ' ' TYR . 2.8 mt-10 -58.3 -43.12 87.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.029 -1.044 . . . . 0.05 108.847 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.579 ' HB2' ' H5 ' ' E' ' 22' ' ' IPH . . . -74.52 -37.32 63.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.202 -0.936 . . . . 0.01 109.416 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' F' ' 15' ' ' LEU . 26.4 mt -56.57 -65.94 0.53 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.476 -0.765 . . . . 0.0 110.395 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.504 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 0.0 OUTLIER -65.8 -10.79 40.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.02 110.699 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' L' ' 14' ' ' ALA . 4.0 tp -81.35 -44.75 17.15 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.793 -1.558 . . . . 0.1 106.793 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.477 HG23 ' O ' ' F' ' 14' ' ' ALA . 92.9 t -68.55 -42.25 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 108.307 -0.998 . . . . 0.13 108.307 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.546 -0.721 . . . . 0.05 109.177 179.711 -75.394 -78.699 172.741 103.911 2.017 104.087 65.26 -155.579 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.54 -100.73 0.76 Allowed Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.428 -1.469 . . . . 0.15 109.428 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.55 -24.57 15.99 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.121 -1.223 . . . . 0.43 109.508 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 159.49 9.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.111 -0.993 . . . . 0.33 109.035 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -98.81 -178.37 32.14 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.625 -1.39 . . . . 0.01 109.625 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 25.6 p90 -155.93 145.73 21.22 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.276 -1.132 . . . . 0.01 109.477 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' F' ' 25' ' ' PHE . 10.8 p90 -97.35 119.69 36.33 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.32 109.002 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -108.18 113.65 26.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.365 -0.834 . . . . 0.0 109.551 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.423 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 44.3 m -124.69 100.98 33.77 Favored Pre-proline 0 C--N 1.3 -1.558 0 O-C-N 121.227 -0.921 . . . . 0.22 108.789 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.463 ' HA ' HG21 ' E' ' 3' ' ' VAL . 34.6 Cg_endo -77.23 -17.24 15.06 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 C-N-CA 121.281 1.321 . . . . 0.04 110.764 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 74.92 0.43 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.968 -1.083 . . . . 0.41 108.971 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 30' ' ' THR . . . . . 0.4 ' N ' ' O ' ' F' ' 28' ' ' PRO . 30.5 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.99 -1.005 . . . . 0.43 109.449 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.555 0 N-CA-C 109.48 -1.448 . . . . 0.31 109.48 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.749 HD12 ' CD1' ' G' ' 19' ' ' TYR . 15.4 tt -119.12 -37.39 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -1.141 . . . . 0.03 109.065 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.581 HG11 ' CG ' ' H' ' 4' ' ' GLN . 21.4 t -72.84 -57.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.294 -0.878 . . . . 0.0 109.536 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.2 -24.55 59.5 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.463 -0.773 . . . . 0.4 109.901 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -84.11 -36.76 22.72 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.235 -0.916 . . . . 0.23 110.71 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -97.66 -19.46 18.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 110.976 -178.345 -54.549 -43.049 -89.018 104.465 2.022 104.146 133.862 -73.194 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.538 ' C ' HG11 ' D' ' 2' ' ' VAL . 11.8 t -93.73 21.05 6.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.088 -1.008 . . . . 0.08 109.695 179.569 -165.123 130.808 -132.01 104.979 2.023 103.815 177.222 69.375 2 2 . 1 . 001 nuclear build full ' G' G ' 8' ' ' THR . . . . . 0.417 ' O ' HG13 ' D' ' 2' ' ' VAL . 17.5 p -119.58 -42.9 2.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.042 -1.037 . . . . 0.27 109.012 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.9 23.02 1.74 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.338 -0.851 . . . . 0.31 109.672 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.61 HD11 ' CB ' ' D' ' 5' ' ' HIS . 85.3 mt 61.58 121.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.438 -0.789 . . . . 0.14 110.627 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.44 157.8 27.46 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.488 -0.757 . . . . 0.04 109.069 179.314 -73.194 133.862 -89.018 104.146 2.022 104.465 -43.049 -54.549 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -88.06 162.29 16.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.24 109.2 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.68 -44.64 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.21 110.315 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.25 -26.94 67.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.061 -1.024 . . . . 0.53 110.034 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.93 -34.82 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.084 -1.01 . . . . 0.24 109.57 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.05 -29.45 66.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.795 . . . . 0.02 109.936 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.39 -38.27 76.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.957 . . . . 0.29 110.219 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -53.27 -30.03 36.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.039 -1.038 . . . . 0.41 110.131 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' TYR . . . . . 0.749 ' CD1' HD12 ' G' ' 2' ' ' ILE . 56.2 m-85 -90.8 -10.56 42.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.147 -0.971 . . . . 0.1 110.61 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.87 163.3 2.74 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.73 -1.231 . . . . 0.06 109.394 179.699 -155.791 65.73 173.063 104.011 2.018 103.898 -79.255 -75.215 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' H' ' 23' ' ' GLY . 20.3 t-20 . . . . . 0 C--N 1.299 -1.598 0 CA-C-O 118.005 -0.998 . . . . 0.41 109.514 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.457 0.646 . . . . 0.55 109.555 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.513 HG11 ' C ' ' K' ' 7' ' ' CYS . 33.1 m -78.22 -28.14 14.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.353 -0.842 . . . . 0.05 109.498 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.97 -43.38 63.54 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.141 -0.974 . . . . 0.22 110.668 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.581 ' CG ' HG11 ' G' ' 3' ' ' VAL . 16.4 tt0 -57.78 -58.91 6.31 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.857 -1.152 . . . . 0.23 110.577 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.539 ' CB ' HD11 ' K' ' 10' ' ' ILE . 6.9 t60 -63.2 -12.7 30.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.06 111.029 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.497 HD21 ' H3 ' ' K' ' 22' ' ' IPH . 29.2 mt -102.87 -53.9 2.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.933 -1.105 . . . . 0.04 110.086 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 p -63.58 -34.18 77.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.07 . . . . 0.02 109.495 -179.818 69.375 177.222 -132.01 103.815 2.023 104.979 130.808 -165.123 1 1 . 1 . 001 nuclear build full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.52 41.35 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -29.61 69.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.374 -1.074 . . . . 0.0 109.712 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.07 -26.94 21.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.122 -0.986 . . . . 0.04 109.779 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.95 -41.85 97.11 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 16.6 m -64.27 -36.39 76.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.823 -0.548 . . . . 0.01 109.707 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.438 ' HA ' ' CE1' ' H' ' 16' ' ' TYR . 2.9 mt-10 -57.81 -43.1 85.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.057 -1.027 . . . . 0.05 108.985 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.58 ' HB2' ' H5 ' ' G' ' 22' ' ' IPH . . . -74.72 -36.87 62.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.855 . . . . 0.01 109.487 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' H' ' 15' ' ' LEU . 26.2 mt -56.81 -65.84 0.55 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.435 -0.79 . . . . 0.0 110.503 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.506 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 0.0 OUTLIER -65.98 -10.63 41.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.971 -1.081 . . . . 0.02 110.728 -178.508 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.527 HD21 ' HB1' ' B' ' 14' ' ' ALA . 4.0 tp -81.33 -44.62 17.36 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.972 -1.492 . . . . 0.1 106.972 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' H' ' 14' ' ' ALA . 89.6 t -68.86 -41.91 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.207 -1.034 . . . . 0.14 108.207 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.79 -25.6 64.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.541 -0.725 . . . . 0.05 109.244 179.633 -75.215 -79.255 173.063 103.898 2.018 104.011 65.73 -155.791 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.5 -100.82 0.77 Allowed Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.327 -1.509 . . . . 0.15 109.327 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -96.29 -25.06 15.91 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.19 -1.183 . . . . 0.43 109.439 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 159.1 8.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.253 -0.904 . . . . 0.34 109.125 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.444 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -98.96 -178.49 31.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.488 -1.445 . . . . 0.01 109.488 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 26.6 p90 -155.67 146.07 21.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.284 -1.127 . . . . 0.01 109.558 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' H' ' 25' ' ' PHE . 10.7 p90 -97.5 119.49 36.14 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.546 -0.862 . . . . 0.32 109.064 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -108.09 113.11 26.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.45 -0.781 . . . . 0.0 109.695 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.41 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 42.1 m -124.24 101.07 35.18 Favored Pre-proline 0 C--N 1.3 -1.57 0 O-C-N 121.229 -0.919 . . . . 0.21 108.922 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.473 ' HA ' HG21 ' G' ' 3' ' ' VAL . 34.5 Cg_endo -77.41 -17.3 14.72 Favored 'Trans proline' 0 C--O 1.217 -0.567 0 C-N-CA 121.272 1.315 . . . . 0.04 110.675 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 75.04 0.44 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.023 -1.048 . . . . 0.42 108.904 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.05 -0.976 . . . . 0.41 109.425 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 N-CA-C 109.404 -1.478 . . . . 0.31 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' I' ' 19' ' ' TYR . 15.3 tt -119.46 -37.52 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.233 -1.157 . . . . 0.03 109.114 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.591 HG11 ' CG ' ' J' ' 4' ' ' GLN . 21.3 t -72.73 -57.15 7.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.432 -0.792 . . . . 0.0 109.511 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.95 -24.79 59.45 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.448 -0.783 . . . . 0.39 109.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -83.86 -37.25 22.68 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.157 -0.964 . . . . 0.23 110.703 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 57.4 m -97.2 -19.22 18.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 111.171 -178.453 -54.347 -42.993 -89.245 104.471 2.02 104.045 133.89 -73.001 1 1 . 1 . 001 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.52 ' C ' HG11 ' B' ' 2' ' ' VAL . 12.0 t -93.84 20.9 7.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.996 -1.065 . . . . 0.08 109.637 179.635 -165.273 130.582 -131.792 105.077 2.024 103.779 177.264 69.395 2 2 . 1 . 001 nuclear build full ' I' I ' 8' ' ' THR . . . . . 0.425 ' O ' HG13 ' B' ' 2' ' ' VAL . 17.1 p -119.3 -43.63 2.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.031 -1.043 . . . . 0.27 108.976 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.35 22.98 1.84 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.405 -0.809 . . . . 0.32 109.724 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.574 HD11 ' CB ' ' B' ' 5' ' ' HIS . 85.1 mt 61.58 122.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.671 0.748 . . . . 0.15 110.648 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.83 157.93 26.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.422 -0.799 . . . . 0.03 109.072 179.155 -73.001 133.89 -89.245 104.045 2.02 104.471 -42.993 -54.347 1 1 . 1 . 001 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 12.5 p -88.28 161.77 16.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -0.915 . . . . 0.24 109.156 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.42 -44.51 65.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.321 -0.862 . . . . 0.21 110.306 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -66.3 -26.73 67.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.54 109.985 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -76.35 -34.49 58.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.24 109.489 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.31 -29.17 65.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.504 -0.747 . . . . 0.02 109.94 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.69 -37.93 77.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.28 110.136 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -53.77 -29.73 41.34 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.031 -1.043 . . . . 0.41 110.089 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' TYR . . . . . 0.764 ' CD1' HD12 ' I' ' 2' ' ' ILE . 56.9 m-85 -90.9 -11.05 40.33 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.1 110.686 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.39 163.2 2.41 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.825 -1.172 . . . . 0.06 109.385 179.651 -155.674 65.645 173.121 104.002 2.018 103.949 -79.073 -75.264 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' J' ' 23' ' ' GLY . 20.0 t-20 . . . . . 0 C--N 1.299 -1.615 0 CA-C-O 117.928 -1.034 . . . . 0.4 109.584 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.464 0.649 . . . . 0.56 109.556 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.465 HG11 ' C ' ' E' ' 7' ' ' CYS . 33.3 m -78.49 -27.9 14.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.875 . . . . 0.05 109.455 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -43.57 63.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.23 110.697 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.591 ' CG ' HG11 ' I' ' 3' ' ' VAL . 16.4 tt0 -57.64 -58.78 6.83 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.908 -1.12 . . . . 0.24 110.525 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.545 ' CB ' HD11 ' E' ' 10' ' ' ILE . 7.0 t60 -63.34 -12.69 31.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.06 111.078 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.442 HD21 ' H3 ' ' E' ' 22' ' ' IPH . 29.6 mt -102.79 -54.07 2.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.04 110.039 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 p -63.22 -34.65 78.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.027 -1.045 . . . . 0.02 109.37 -179.812 69.395 177.264 -131.792 103.779 2.024 105.077 130.582 -165.273 1 1 . 1 . 001 nuclear build full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.4 -26.55 37.72 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -29.73 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.404 -1.056 . . . . 0.0 109.744 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.12 -26.47 21.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.03 109.766 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.29 -42.06 98.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.403 HG12 ' HE2' ' J' ' 24' ' ' PHE . 16.7 m -64.33 -36.24 76.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.665 -0.647 . . . . 0.01 109.866 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.443 ' HA ' ' CE1' ' J' ' 16' ' ' TYR . 2.8 mt-10 -57.79 -42.83 84.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.934 -1.103 . . . . 0.05 109.014 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.604 ' HB2' ' H5 ' ' I' ' 22' ' ' IPH . . . -74.79 -37.34 62.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.231 -0.918 . . . . 0.01 109.357 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' J' ' 15' ' ' LEU . 26.0 mt -56.43 -65.98 0.52 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 0.0 110.356 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.501 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 0.0 OUTLIER -65.81 -10.51 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.02 110.754 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.554 HD21 ' HB1' ' D' ' 14' ' ' ALA . 3.9 tp -81.64 -44.13 17.62 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.952 -1.499 . . . . 0.1 106.952 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.466 HG23 ' O ' ' J' ' 14' ' ' ALA . 93.5 t -69.22 -41.98 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.237 -1.023 . . . . 0.14 108.237 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -69.0 -25.26 64.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.474 -0.766 . . . . 0.05 109.234 179.743 -75.264 -79.073 173.121 103.949 2.018 104.002 65.645 -155.674 1 1 . 1 . 001 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.22 -100.87 0.75 Allowed Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.425 -1.47 . . . . 0.15 109.425 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.5 -24.04 16.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -1.218 . . . . 0.43 109.446 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 159.14 11.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.064 -1.023 . . . . 0.34 109.064 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . -98.33 -178.71 32.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.694 -1.362 . . . . 0.01 109.694 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 26.4 p90 -155.77 145.77 21.46 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.292 -1.122 . . . . 0.01 109.455 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' J' ' 25' ' ' PHE . 10.6 p90 -97.28 119.49 35.89 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.532 -0.867 . . . . 0.32 109.027 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -107.94 113.8 27.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.388 -0.82 . . . . 0.0 109.535 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.416 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 44.1 m -124.61 100.6 34.5 Favored Pre-proline 0 C--N 1.301 -1.522 0 O-C-N 121.193 -0.942 . . . . 0.22 108.981 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.473 ' HA ' HG21 ' I' ' 3' ' ' VAL . 34.6 Cg_endo -76.92 -17.1 15.71 Favored 'Trans proline' 0 C--O 1.215 -0.66 0 C-N-CA 121.305 1.337 . . . . 0.05 110.891 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 74.71 0.52 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.07 -1.019 . . . . 0.42 109.031 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.067 -0.968 . . . . 0.41 109.425 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.447 0 N-CA-C 109.414 -1.474 . . . . 0.3 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' K' ' 19' ' ' TYR . 15.3 tt -119.12 -37.39 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.258 -1.142 . . . . 0.03 109.032 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.594 HG11 ' CG ' ' L' ' 4' ' ' GLN . 21.4 t -72.77 -57.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.333 -0.855 . . . . 0.0 109.509 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -57.89 -24.86 59.58 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.423 -0.798 . . . . 0.39 109.891 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -83.76 -36.75 23.38 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.258 -0.901 . . . . 0.23 110.808 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.61 -19.67 18.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.05 -1.032 . . . . 0.0 111.012 -178.423 -54.351 -43.127 -88.91 104.423 2.021 104.153 133.827 -73.199 1 1 . 1 . 001 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.513 ' C ' HG11 ' H' ' 2' ' ' VAL . 11.8 t -93.52 20.9 6.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.126 -0.984 . . . . 0.08 109.694 179.717 -165.127 130.681 -132.053 105.001 2.023 103.846 177.383 69.295 2 2 . 1 . 001 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -119.23 -43.54 2.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.014 -1.054 . . . . 0.28 108.893 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.2 22.93 1.87 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.349 -0.845 . . . . 0.33 109.681 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.539 HD11 ' CB ' ' H' ' 5' ' ' HIS . 84.8 mt 61.57 121.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.465 -0.772 . . . . 0.14 110.731 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.59 157.86 27.23 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.536 -0.728 . . . . 0.04 109.043 179.379 -73.199 133.827 -88.91 104.153 2.021 104.423 -43.127 -54.351 1 1 . 1 . 001 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -88.06 162.11 16.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.884 . . . . 0.24 109.165 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.71 -44.66 66.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.905 . . . . 0.2 110.302 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -66.13 -26.99 67.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.998 -1.064 . . . . 0.52 109.98 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -76.09 -34.44 59.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.23 109.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.48 -28.97 65.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.412 -0.805 . . . . 0.02 109.934 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.77 -38.17 77.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.29 110.219 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -53.45 -30.13 39.16 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.05 -1.031 . . . . 0.41 110.081 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 19' ' ' TYR . . . . . 0.757 ' CD1' HD12 ' K' ' 2' ' ' ILE . 56.6 m-85 -90.51 -10.87 41.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.026 -1.046 . . . . 0.1 110.636 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.68 162.97 2.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.771 -1.206 . . . . 0.06 109.54 179.708 -155.917 65.659 172.93 103.926 2.017 104.017 -78.923 -75.307 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' L' ' 23' ' ' GLY . 20.1 t-20 . . . . . 0 C--N 1.301 -1.537 0 CA-C-O 117.929 -1.034 . . . . 0.41 109.627 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.344 0.593 . . . . 0.55 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.477 HG11 ' C ' ' C' ' 7' ' ' CYS . 33.5 m -78.03 -28.09 15.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.337 -0.852 . . . . 0.05 109.659 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.86 -43.29 63.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.22 110.652 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.594 ' CG ' HG11 ' K' ' 3' ' ' VAL . 16.2 tt0 -58.01 -58.74 7.07 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.915 -1.116 . . . . 0.25 110.504 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.591 ' CB ' HD11 ' C' ' 10' ' ' ILE . 6.9 t60 -63.44 -12.41 31.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -0.862 . . . . 0.06 111.131 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.492 HD21 ' H3 ' ' C' ' 22' ' ' IPH . 30.1 mt -103.18 -53.4 2.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.831 -1.168 . . . . 0.04 110.072 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.94 -34.37 77.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.058 -1.026 . . . . 0.02 109.374 -179.825 69.295 177.383 -132.053 103.846 2.023 105.001 130.681 -165.127 1 1 . 1 . 001 nuclear build full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.69 -26.69 40.3 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -29.67 69.93 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -1.078 . . . . 0.0 109.751 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -89.13 -26.58 21.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.03 109.784 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 mt -61.15 -41.9 97.59 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.413 HG12 ' HE2' ' L' ' 24' ' ' PHE . 16.6 m -64.53 -35.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.605 -0.684 . . . . 0.01 109.818 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.447 ' HA ' ' CE1' ' L' ' 16' ' ' TYR . 2.8 mt-10 -58.18 -42.9 87.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.05 -1.031 . . . . 0.05 108.943 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.604 ' HB2' ' H5 ' ' K' ' 22' ' ' IPH . . . -74.65 -37.59 62.71 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.209 -0.932 . . . . 0.01 109.371 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' L' ' 15' ' ' LEU . 26.3 mt -56.16 -66.21 0.47 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.533 -0.729 . . . . 0.0 110.367 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.503 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 0.0 OUTLIER -65.73 -10.69 39.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.987 -1.071 . . . . 0.02 110.75 -178.488 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.542 HD21 ' HB1' ' F' ' 14' ' ' ALA . 4.0 tp -81.39 -44.63 17.27 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.877 -1.527 . . . . 0.11 106.877 177.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.48 HG23 ' O ' ' L' ' 14' ' ' ALA . 92.9 t -68.59 -42.5 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.258 -1.016 . . . . 0.14 108.258 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -68.49 -25.54 65.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.598 -0.689 . . . . 0.05 109.196 179.79 -75.307 -78.923 172.93 104.017 2.017 103.926 65.659 -155.917 1 1 . 1 . 001 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.55 -100.61 0.76 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.5 -1.44 . . . . 0.15 109.5 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.61 -24.63 15.93 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.198 -1.177 . . . . 0.43 109.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 159.19 9.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.173 -0.954 . . . . 0.33 109.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.431 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -98.7 -178.48 32.29 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.504 -1.439 . . . . 0.01 109.504 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 25.6 p90 -155.65 146.03 21.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.184 -1.186 . . . . 0.01 109.523 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' L' ' 25' ' ' PHE . 10.6 p90 -97.42 119.52 36.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.343 -0.848 . . . . 0.32 109.066 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -108.03 113.5 26.71 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.536 -0.727 . . . . 0.0 109.653 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 42.9 m -124.64 100.67 34.31 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.304 -0.873 . . . . 0.22 109.029 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.466 ' HA ' HG21 ' K' ' 3' ' ' VAL . 35.0 Cg_endo -77.2 -16.82 15.37 Favored 'Trans proline' 0 C--O 1.215 -0.661 0 C-N-CA 121.377 1.385 . . . . 0.04 110.779 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 74.58 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.001 -1.062 . . . . 0.42 108.941 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 118.009 -0.996 . . . . 0.43 109.49 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.587 ' H5 ' ' HB2' ' B' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.592 ' H5 ' ' HB2' ' D' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.579 ' H5 ' ' HB2' ' F' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.58 ' H5 ' ' HB2' ' H' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.604 ' H5 ' ' HB2' ' J' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.604 ' H5 ' ' HB2' ' L' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.393 0 N-CA-C 109.502 -1.439 . . . . 0.31 109.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.754 HD12 ' CD1' ' A' ' 19' ' ' TYR . 15.4 tt -119.28 -37.51 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.243 -1.151 . . . . 0.03 109.079 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.59 HG11 ' CG ' ' B' ' 4' ' ' GLN . 21.3 t -72.71 -57.15 7.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.365 -0.835 . . . . 0.0 109.466 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -57.83 -24.86 59.39 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.287 -0.883 . . . . 0.39 109.992 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -83.81 -37.17 22.88 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.29 -0.881 . . . . 0.23 110.76 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.2 -19.69 18.45 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.944 -1.098 . . . . 0.0 111.1 -178.455 -54.387 -43.148 -89.146 104.495 2.021 104.027 133.957 -73.346 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.489 ' C ' HG11 ' F' ' 2' ' ' VAL . 12.0 t -93.58 20.98 6.72 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.996 -1.065 . . . . 0.08 109.719 179.78 -165.261 130.86 -131.936 105.018 2.023 103.779 177.09 69.338 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.423 ' O ' HG13 ' F' ' 2' ' ' VAL . 17.6 p -119.35 -43.19 2.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.063 -1.023 . . . . 0.28 109.023 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.73 23.08 1.77 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.33 109.743 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' F' ' 5' ' ' HIS . 85.2 mt 61.58 122.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.15 110.736 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 63.6 m -79.9 157.79 26.84 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.489 -0.757 . . . . 0.04 108.964 179.401 -73.346 133.957 -89.146 104.027 2.021 104.495 -43.148 -54.387 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -88.16 162.09 16.9 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.192 -0.943 . . . . 0.24 109.106 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.59 -44.64 66.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.386 -0.821 . . . . 0.2 110.384 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -66.2 -26.94 67.63 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.987 -1.07 . . . . 0.52 109.956 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.93 -34.67 59.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.063 -1.023 . . . . 0.24 109.493 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.37 -28.93 65.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.419 -0.801 . . . . 0.02 109.98 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.72 -37.87 77.1 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.215 -0.928 . . . . 0.29 110.238 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -53.72 -30.11 42.47 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.018 -1.051 . . . . 0.41 110.124 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.754 ' CD1' HD12 ' A' ' 2' ' ' ILE . 57.2 m-85 -90.52 -11.0 41.49 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.061 -1.025 . . . . 0.1 110.662 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.45 163.49 2.32 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.777 -1.202 . . . . 0.06 109.341 179.706 -155.823 65.979 172.734 103.893 2.018 103.892 -79.421 -75.32 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' B' ' 23' ' ' GLY . 20.2 t-20 . . . . . 0 C--N 1.3 -1.586 0 CA-C-O 117.964 -1.017 . . . . 0.41 109.556 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.434 0.635 . . . . 0.55 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.52 HG11 ' C ' ' I' ' 7' ' ' CYS . 33.4 m -78.14 -28.23 14.99 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.213 -0.929 . . . . 0.05 109.483 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.76 -43.46 62.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.23 110.685 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.59 ' CG ' HG11 ' A' ' 3' ' ' VAL . 16.3 tt0 -57.62 -58.89 6.33 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.949 -1.095 . . . . 0.24 110.511 -179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.574 ' CB ' HD11 ' I' ' 10' ' ' ILE . 6.8 t60 -63.47 -12.38 31.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.328 -0.858 . . . . 0.06 111.097 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.495 HD21 ' H3 ' ' I' ' 22' ' ' IPH . 29.2 mt -103.06 -53.88 2.73 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.828 -1.17 . . . . 0.04 110.068 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 20.8 p -63.62 -34.2 77.31 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.948 -1.095 . . . . 0.02 109.487 -179.75 69.338 177.09 -131.936 103.779 2.023 105.018 130.86 -165.261 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.69 -27.02 41.48 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -29.74 70.16 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.475 -1.015 . . . . 0.0 109.68 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.11 -26.5 21.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.192 -0.942 . . . . 0.03 109.878 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.22 -42.37 98.48 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.403 HG12 ' HE2' ' B' ' 24' ' ' PHE . 16.8 m -63.89 -35.99 75.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.805 -0.56 . . . . 0.01 109.961 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.451 ' HA ' ' CE1' ' B' ' 16' ' ' TYR . 2.9 mt-10 -58.23 -43.2 87.63 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.966 -1.084 . . . . 0.05 108.842 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.587 ' HB2' ' H5 ' ' A' ' 22' ' ' IPH . . . -74.46 -37.28 63.29 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.22 -0.925 . . . . 0.01 109.44 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' B' ' 15' ' ' LEU . 25.0 mt -56.41 -66.06 0.5 Allowed 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 110.424 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.493 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 0.0 OUTLIER -65.85 -10.75 40.91 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 119.065 -1.054 . . . . 0.02 110.76 -178.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.564 HD21 ' HB1' ' H' ' 14' ' ' ALA . 4.0 tp -81.16 -44.65 17.57 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.873 -1.529 . . . . 0.1 106.873 177.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 14' ' ' ALA . 94.1 t -68.79 -42.25 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 108.26 -1.015 . . . . 0.13 108.26 178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -68.62 -25.59 64.92 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.457 -0.777 . . . . 0.05 109.146 179.801 -75.32 -79.421 172.734 103.892 2.018 103.893 65.979 -155.823 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.65 -100.68 0.77 Allowed Glycine 0 N--CA 1.485 1.954 0 N-CA-C 109.465 -1.454 . . . . 0.15 109.465 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -96.57 -24.52 16.0 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.264 -1.139 . . . . 0.43 109.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.13 159.28 9.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.232 -0.918 . . . . 0.33 109.155 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -98.64 -178.84 32.33 Favored Glycine 0 N--CA 1.488 2.15 0 N-CA-C 109.725 -1.35 . . . . 0.01 109.725 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 26.5 p90 -155.6 146.02 21.89 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.182 -1.187 . . . . 0.01 109.45 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' B' ' 25' ' ' PHE . 10.3 p90 -97.64 119.61 36.53 Favored 'General case' 0 C--N 1.299 -1.602 0 C-N-CA 119.538 -0.865 . . . . 0.32 109.062 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -108.1 113.19 26.15 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.37 -0.831 . . . . 0.0 109.699 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.428 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 40.8 m -124.26 101.03 35.14 Favored Pre-proline 0 C--N 1.3 -1.58 0 O-C-N 121.166 -0.959 . . . . 0.21 109.038 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.468 ' HA ' HG21 ' A' ' 3' ' ' VAL . 34.7 Cg_endo -77.16 -17.68 14.87 Favored 'Trans proline' 0 C--O 1.215 -0.648 0 C-N-CA 121.391 1.394 . . . . 0.04 110.792 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 74.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.963 -1.086 . . . . 0.42 108.963 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.411 ' N ' ' O ' ' B' ' 28' ' ' PRO . 32.0 m . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 117.952 -1.023 . . . . 0.41 109.564 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.452 0 N-CA-C 109.467 -1.453 . . . . 0.3 109.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.754 HD12 ' CD1' ' C' ' 19' ' ' TYR . 15.3 tt -119.12 -37.58 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.279 -1.13 . . . . 0.03 109.073 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.577 HG11 ' CG ' ' D' ' 4' ' ' GLN . 21.5 t -72.57 -57.17 7.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.39 -0.819 . . . . 0.0 109.523 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.11 -24.48 58.85 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.431 -0.793 . . . . 0.39 109.949 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -84.0 -37.11 22.61 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.239 -0.913 . . . . 0.23 110.67 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 57.3 m -97.22 -19.74 18.39 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.039 -1.038 . . . . 0.0 111.1 -178.393 -54.299 -43.199 -89.101 104.519 2.02 104.172 133.709 -73.028 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.477 ' C ' HG11 ' L' ' 2' ' ' VAL . 11.9 t -93.48 20.88 6.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.108 -0.995 . . . . 0.08 109.696 179.699 -165.235 130.656 -131.751 105.05 2.024 103.794 177.196 69.297 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.414 ' O ' HG13 ' L' ' 2' ' ' VAL . 17.4 p -119.46 -42.79 2.63 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.045 -1.034 . . . . 0.28 109.001 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.97 22.89 1.74 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.33 109.695 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.591 HD11 ' CB ' ' L' ' 5' ' ' HIS . 84.8 mt 61.66 122.22 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.383 -0.823 . . . . 0.14 110.749 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 64.8 m -79.92 157.74 26.83 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.453 -0.779 . . . . 0.04 109.044 179.305 -73.028 133.709 -89.101 104.172 2.02 104.519 -43.199 -54.299 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 12.3 p -88.04 162.05 17.02 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.227 -0.921 . . . . 0.24 109.116 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.63 -44.5 66.11 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.296 -0.877 . . . . 0.2 110.287 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.32 -26.87 67.5 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.117 -0.989 . . . . 0.53 109.982 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -76.12 -34.61 59.46 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.052 -1.03 . . . . 0.23 109.467 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.23 -28.89 65.62 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.529 -0.732 . . . . 0.02 109.902 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.92 -37.95 77.82 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.258 -0.901 . . . . 0.29 110.314 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -53.5 -30.17 39.98 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.117 -0.989 . . . . 0.4 110.144 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . 0.754 ' CD1' HD12 ' C' ' 2' ' ' ILE . 56.1 m-85 -90.62 -10.74 42.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.158 -0.964 . . . . 0.1 110.603 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.94 162.79 3.07 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.789 -1.195 . . . . 0.06 109.499 179.605 -155.79 65.901 172.651 104.003 2.018 103.924 -78.977 -75.211 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' D' ' 23' ' ' GLY . 20.1 t-20 . . . . . 0 C--N 1.299 -1.609 0 CA-C-O 117.918 -1.039 . . . . 0.4 109.593 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 42.3 t80 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.325 0.583 . . . . 0.55 109.432 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.538 HG11 ' C ' ' G' ' 7' ' ' CYS . 33.5 m -78.23 -28.13 14.82 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.383 -0.823 . . . . 0.05 109.621 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.93 -43.41 63.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.893 . . . . 0.23 110.591 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.577 ' CG ' HG11 ' C' ' 3' ' ' VAL . 16.3 tt0 -57.87 -58.92 6.26 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.95 -1.094 . . . . 0.24 110.484 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.61 ' CB ' HD11 ' G' ' 10' ' ' ILE . 7.0 t60 -63.26 -12.69 31.0 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.423 -0.798 . . . . 0.06 111.04 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.484 HD21 ' H3 ' ' G' ' 22' ' ' IPH . 29.3 mt -102.93 -53.54 2.82 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.892 -1.13 . . . . 0.04 110.23 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.78 -34.33 77.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.958 -1.089 . . . . 0.02 109.427 -179.861 69.297 177.196 -131.751 103.794 2.024 105.05 130.656 -165.235 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.66 -26.83 40.6 Favored Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -30.17 70.6 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.356 -1.085 . . . . 0.0 109.688 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -88.69 -26.8 21.64 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.256 -0.902 . . . . 0.03 109.763 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 25.4 mt -61.19 -42.01 97.83 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 16.5 m -64.23 -36.06 75.9 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.587 -0.695 . . . . 0.01 109.712 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.431 ' HA ' ' CE1' ' D' ' 16' ' ' TYR . 2.8 mt-10 -58.18 -42.63 86.5 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.083 -1.011 . . . . 0.05 109.013 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.592 ' HB2' ' H5 ' ' C' ' 22' ' ' IPH . . . -74.91 -37.28 62.13 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.206 -0.933 . . . . 0.01 109.369 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' D' ' 15' ' ' LEU . 26.2 mt -56.48 -65.66 0.57 Allowed 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.4 -0.813 . . . . 0.0 110.52 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.496 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 0.0 OUTLIER -66.03 -10.99 45.07 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.943 -1.098 . . . . 0.02 110.734 -178.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.55 HD21 ' HB1' ' J' ' 14' ' ' ALA . 4.0 tp -80.99 -44.72 17.7 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 106.949 -1.5 . . . . 0.11 106.949 177.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.467 HG23 ' O ' ' D' ' 14' ' ' ALA . 93.2 t -68.63 -42.7 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 N-CA-C 108.215 -1.032 . . . . 0.13 108.215 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -67.99 -25.77 65.58 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.521 -0.737 . . . . 0.05 109.18 179.685 -75.211 -78.977 172.651 103.924 2.018 104.003 65.901 -155.79 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.51 -100.88 0.78 Allowed Glycine 0 N--CA 1.487 2.069 0 N-CA-C 109.351 -1.5 . . . . 0.15 109.351 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -96.26 -24.7 16.1 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.193 -1.18 . . . . 0.43 109.49 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.14 159.2 9.98 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.236 -0.915 . . . . 0.33 109.151 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.439 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -98.51 -178.74 32.51 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.749 -1.34 . . . . 0.01 109.749 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 25.9 p90 -155.72 145.74 21.5 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.265 -1.138 . . . . 0.01 109.481 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' D' ' 25' ' ' PHE . 10.8 p90 -97.32 119.52 36.0 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.513 -0.875 . . . . 0.32 109.104 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -107.98 113.89 27.4 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.48 -0.762 . . . . 0.0 109.534 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.425 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 42.0 m -124.88 101.01 33.08 Favored Pre-proline 0 C--N 1.3 -1.571 0 O-C-N 121.286 -0.883 . . . . 0.21 108.995 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.478 ' HA ' HG21 ' C' ' 3' ' ' VAL . 34.9 Cg_endo -77.44 -17.26 14.7 Favored 'Trans proline' 0 C--O 1.215 -0.651 0 C-N-CA 121.198 1.265 . . . . 0.04 110.724 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.89 75.01 0.46 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.959 -1.088 . . . . 0.42 108.859 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 118.056 -0.973 . . . . 0.41 109.47 -179.802 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.396 0 N-CA-C 109.426 -1.47 . . . . 0.3 109.426 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.761 HD12 ' CD1' ' E' ' 19' ' ' TYR . 15.3 tt -119.05 -37.72 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.232 -1.158 . . . . 0.03 109.078 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.579 HG11 ' CG ' ' F' ' 4' ' ' GLN . 21.3 t -72.43 -57.04 8.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.374 -0.828 . . . . 0.0 109.556 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.13 -24.76 60.0 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.381 -0.824 . . . . 0.39 109.891 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -83.9 -36.75 23.13 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.219 -0.926 . . . . 0.23 110.702 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 57.7 m -97.65 -19.5 18.24 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.997 -1.064 . . . . 0.0 111.059 -178.419 -54.459 -43.17 -89.121 104.473 2.021 104.103 133.801 -73.11 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.465 ' C ' HG11 ' J' ' 2' ' ' VAL . 12.1 t -93.51 20.73 6.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.042 -1.036 . . . . 0.08 109.587 179.667 -165.344 130.646 -131.688 104.989 2.023 103.804 177.229 69.165 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 17.4 p -118.87 -43.83 2.65 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.013 -1.055 . . . . 0.28 108.983 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.21 22.97 1.87 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.33 109.704 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.545 HD11 ' CB ' ' J' ' 5' ' ' HIS . 84.9 mt 61.67 122.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.518 -0.739 . . . . 0.15 110.758 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 64.5 m -79.69 157.72 27.14 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.04 -0.726 . . . . 0.04 109.04 179.333 -73.11 133.801 -89.121 104.103 2.021 104.473 -43.17 -54.459 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -88.04 161.87 17.12 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.2 -0.938 . . . . 0.24 109.138 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tt -52.34 -44.54 65.24 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.306 -0.871 . . . . 0.2 110.388 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -66.35 -26.92 67.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.017 -1.052 . . . . 0.52 109.919 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -76.06 -34.38 59.59 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.091 -1.006 . . . . 0.23 109.57 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.55 -28.85 65.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.485 -0.759 . . . . 0.02 109.982 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.87 -38.05 77.93 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.26 -0.9 . . . . 0.29 110.201 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -53.58 -29.92 39.67 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.11 -0.993 . . . . 0.41 110.093 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . 0.761 ' CD1' HD12 ' E' ' 2' ' ' ILE . 56.4 m-85 -90.78 -10.78 41.6 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.071 -1.018 . . . . 0.1 110.642 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.65 163.16 2.62 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.792 -1.192 . . . . 0.06 109.426 179.614 -155.579 65.26 172.741 104.087 2.017 103.911 -78.699 -75.394 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' F' ' 23' ' ' GLY . 20.0 t-20 . . . . . 0 C--N 1.299 -1.609 0 CA-C-O 117.944 -1.026 . . . . 0.4 109.539 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.403 0.621 . . . . 0.55 109.596 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.489 HG11 ' C ' ' A' ' 7' ' ' CYS . 33.3 m -78.11 -28.22 15.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.43 0 O-C-N 121.325 -0.859 . . . . 0.05 109.549 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.7 -43.64 62.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.15 -0.969 . . . . 0.23 110.683 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.579 ' CG ' HG11 ' E' ' 3' ' ' VAL . 16.5 tt0 -57.57 -59.05 5.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.033 -1.042 . . . . 0.24 110.484 -179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.565 ' CB ' HD11 ' A' ' 10' ' ' ILE . 6.9 t60 -63.04 -12.9 29.5 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.341 -0.849 . . . . 0.06 111.055 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.495 HD21 ' H3 ' ' A' ' 22' ' ' IPH . 29.1 mt -102.56 -54.14 2.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.836 -1.165 . . . . 0.04 110.165 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 21.1 p -63.31 -34.4 77.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.963 -1.086 . . . . 0.02 109.292 -179.735 69.165 177.229 -131.688 103.804 2.023 104.989 130.646 -165.344 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.59 -26.72 39.7 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -29.62 69.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.37 -1.076 . . . . 0.0 109.738 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.0 -26.81 21.27 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.335 -0.853 . . . . 0.03 109.831 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -60.97 -42.34 98.16 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.412 HG12 ' HE2' ' F' ' 24' ' ' PHE . 16.5 m -64.1 -35.86 75.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.747 -0.596 . . . . 0.01 109.817 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.449 ' HA ' ' CE1' ' F' ' 16' ' ' TYR . 2.8 mt-10 -58.3 -43.12 87.93 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.029 -1.044 . . . . 0.05 108.847 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.579 ' HB2' ' H5 ' ' E' ' 22' ' ' IPH . . . -74.52 -37.32 63.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.202 -0.936 . . . . 0.01 109.416 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' F' ' 15' ' ' LEU . 26.4 mt -56.57 -65.94 0.53 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.476 -0.765 . . . . 0.0 110.395 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.504 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 0.0 OUTLIER -65.8 -10.79 40.79 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.02 110.699 -178.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.529 HD21 ' HB1' ' L' ' 14' ' ' ALA . 4.0 tp -81.35 -44.75 17.15 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.793 -1.558 . . . . 0.1 106.793 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.477 HG23 ' O ' ' F' ' 14' ' ' ALA . 92.9 t -68.55 -42.25 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 N-CA-C 108.307 -0.998 . . . . 0.13 108.307 178.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 55.8 m -68.54 -25.62 65.01 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.546 -0.721 . . . . 0.05 109.177 179.711 -75.394 -78.699 172.741 103.911 2.017 104.087 65.26 -155.579 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.54 -100.73 0.76 Allowed Glycine 0 N--CA 1.487 2.096 0 N-CA-C 109.428 -1.469 . . . . 0.15 109.428 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -96.55 -24.57 15.99 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.121 -1.223 . . . . 0.43 109.508 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 159.49 9.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.111 -0.993 . . . . 0.33 109.035 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -98.81 -178.37 32.14 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.625 -1.39 . . . . 0.01 109.625 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.504 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 25.6 p90 -155.93 145.73 21.22 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.276 -1.132 . . . . 0.01 109.477 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' F' ' 25' ' ' PHE . 10.8 p90 -97.35 119.69 36.33 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.32 109.002 179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -108.18 113.65 26.94 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.365 -0.834 . . . . 0.0 109.551 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.423 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 44.3 m -124.69 100.98 33.77 Favored Pre-proline 0 C--N 1.3 -1.558 0 O-C-N 121.227 -0.921 . . . . 0.22 108.789 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.463 ' HA ' HG21 ' E' ' 3' ' ' VAL . 34.6 Cg_endo -77.23 -17.24 15.06 Favored 'Trans proline' 0 C--O 1.215 -0.637 0 C-N-CA 121.281 1.321 . . . . 0.04 110.764 -179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 74.92 0.43 Allowed 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.968 -1.083 . . . . 0.41 108.971 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . 0.4 ' N ' ' O ' ' F' ' 28' ' ' PRO . 30.5 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 117.99 -1.005 . . . . 0.43 109.449 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.555 0 N-CA-C 109.48 -1.448 . . . . 0.31 109.48 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.749 HD12 ' CD1' ' G' ' 19' ' ' TYR . 15.4 tt -119.12 -37.39 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.26 -1.141 . . . . 0.03 109.065 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.581 HG11 ' CG ' ' H' ' 4' ' ' GLN . 21.4 t -72.84 -57.0 7.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.294 -0.878 . . . . 0.0 109.536 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -58.2 -24.55 59.5 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.463 -0.773 . . . . 0.4 109.901 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -84.11 -36.76 22.72 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.235 -0.916 . . . . 0.23 110.71 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 57.9 m -97.66 -19.46 18.26 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 110.976 -178.345 -54.549 -43.049 -89.018 104.465 2.022 104.146 133.862 -73.194 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.538 ' C ' HG11 ' D' ' 2' ' ' VAL . 11.8 t -93.73 21.05 6.81 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.088 -1.008 . . . . 0.08 109.695 179.569 -165.123 130.808 -132.01 104.979 2.023 103.815 177.222 69.375 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . 0.417 ' O ' HG13 ' D' ' 2' ' ' VAL . 17.5 p -119.58 -42.9 2.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.042 -1.037 . . . . 0.27 109.012 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.9 23.02 1.74 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.338 -0.851 . . . . 0.31 109.672 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.61 HD11 ' CB ' ' D' ' 5' ' ' HIS . 85.3 mt 61.58 121.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.438 -0.789 . . . . 0.14 110.627 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.44 157.8 27.46 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.488 -0.757 . . . . 0.04 109.069 179.314 -73.194 133.862 -89.018 104.146 2.022 104.465 -43.049 -54.549 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 12.1 p -88.06 162.29 16.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.315 -0.866 . . . . 0.24 109.2 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.68 -44.64 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.288 -0.882 . . . . 0.21 110.315 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -66.25 -26.94 67.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.061 -1.024 . . . . 0.53 110.034 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -75.93 -34.82 59.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.084 -1.01 . . . . 0.24 109.57 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 91.0 mt -70.05 -29.45 66.48 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.427 -0.795 . . . . 0.02 109.936 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.39 -38.27 76.98 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.957 . . . . 0.29 110.219 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -53.27 -30.03 36.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.039 -1.038 . . . . 0.41 110.131 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . 0.749 ' CD1' HD12 ' G' ' 2' ' ' ILE . 56.2 m-85 -90.8 -10.56 42.37 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.147 -0.971 . . . . 0.1 110.61 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.87 163.3 2.74 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.73 -1.231 . . . . 0.06 109.394 179.699 -155.791 65.73 173.063 104.011 2.018 103.898 -79.255 -75.215 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' H' ' 23' ' ' GLY . 20.3 t-20 . . . . . 0 C--N 1.299 -1.598 0 CA-C-O 118.005 -0.998 . . . . 0.41 109.514 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.9 t80 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 121.457 0.646 . . . . 0.55 109.555 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.513 HG11 ' C ' ' K' ' 7' ' ' CYS . 33.1 m -78.22 -28.14 14.85 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.353 -0.842 . . . . 0.05 109.498 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.97 -43.38 63.54 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.141 -0.974 . . . . 0.22 110.668 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.581 ' CG ' HG11 ' G' ' 3' ' ' VAL . 16.4 tt0 -57.78 -58.91 6.31 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.857 -1.152 . . . . 0.23 110.577 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.539 ' CB ' HD11 ' K' ' 10' ' ' ILE . 6.9 t60 -63.2 -12.7 30.23 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.41 -0.806 . . . . 0.06 111.029 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.497 HD21 ' H3 ' ' K' ' 22' ' ' IPH . 29.2 mt -102.87 -53.9 2.75 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.933 -1.105 . . . . 0.04 110.086 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 p -63.58 -34.18 77.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.07 . . . . 0.02 109.495 -179.818 69.375 177.222 -132.01 103.815 2.023 104.979 130.808 -165.123 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.52 41.35 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -29.61 69.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.374 -1.074 . . . . 0.0 109.712 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.07 -26.94 21.12 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.122 -0.986 . . . . 0.04 109.779 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.95 -41.85 97.11 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 16.6 m -64.27 -36.39 76.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.823 -0.548 . . . . 0.01 109.707 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.438 ' HA ' ' CE1' ' H' ' 16' ' ' TYR . 2.9 mt-10 -57.81 -43.1 85.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.057 -1.027 . . . . 0.05 108.985 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.58 ' HB2' ' H5 ' ' G' ' 22' ' ' IPH . . . -74.72 -36.87 62.69 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.331 -0.855 . . . . 0.01 109.487 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.452 ' HA ' HD23 ' H' ' 15' ' ' LEU . 26.2 mt -56.81 -65.84 0.55 Allowed 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.435 -0.79 . . . . 0.0 110.503 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.506 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 0.0 OUTLIER -65.98 -10.63 41.17 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.971 -1.081 . . . . 0.02 110.728 -178.508 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.527 HD21 ' HB1' ' B' ' 14' ' ' ALA . 4.0 tp -81.33 -44.62 17.36 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.972 -1.492 . . . . 0.1 106.972 176.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' H' ' 14' ' ' ALA . 89.6 t -68.86 -41.91 82.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.207 -1.034 . . . . 0.14 108.207 178.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -68.79 -25.6 64.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.541 -0.725 . . . . 0.05 109.244 179.633 -75.215 -79.255 173.063 103.898 2.018 104.011 65.73 -155.791 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.5 -100.82 0.77 Allowed Glycine 0 N--CA 1.487 2.091 0 N-CA-C 109.327 -1.509 . . . . 0.15 109.327 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -96.29 -25.06 15.91 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.19 -1.183 . . . . 0.43 109.439 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.53 159.1 8.71 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.253 -0.904 . . . . 0.34 109.125 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.444 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -98.96 -178.49 31.91 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.488 -1.445 . . . . 0.01 109.488 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 26.6 p90 -155.67 146.07 21.85 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.284 -1.127 . . . . 0.01 109.558 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' H' ' 25' ' ' PHE . 10.7 p90 -97.5 119.49 36.14 Favored 'General case' 0 C--N 1.297 -1.679 0 C-N-CA 119.546 -0.862 . . . . 0.32 109.064 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -108.09 113.11 26.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.45 -0.781 . . . . 0.0 109.695 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.41 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 42.1 m -124.24 101.07 35.18 Favored Pre-proline 0 C--N 1.3 -1.57 0 O-C-N 121.229 -0.919 . . . . 0.21 108.922 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.473 ' HA ' HG21 ' G' ' 3' ' ' VAL . 34.5 Cg_endo -77.41 -17.3 14.72 Favored 'Trans proline' 0 C--O 1.217 -0.567 0 C-N-CA 121.272 1.315 . . . . 0.04 110.675 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.8 75.04 0.44 Allowed 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.023 -1.048 . . . . 0.42 108.904 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 118.05 -0.976 . . . . 0.41 109.425 -179.849 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 N-CA-C 109.404 -1.478 . . . . 0.31 109.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' I' ' 19' ' ' TYR . 15.3 tt -119.46 -37.52 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.233 -1.157 . . . . 0.03 109.114 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.591 HG11 ' CG ' ' J' ' 4' ' ' GLN . 21.3 t -72.73 -57.15 7.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 121.432 -0.792 . . . . 0.0 109.511 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -57.95 -24.79 59.45 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.448 -0.783 . . . . 0.39 109.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -83.86 -37.25 22.68 Favored 'General case' 0 C--N 1.297 -1.679 0 O-C-N 121.157 -0.964 . . . . 0.23 110.703 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 57.4 m -97.2 -19.22 18.76 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.04 -1.038 . . . . 0.0 111.171 -178.453 -54.347 -42.993 -89.245 104.471 2.02 104.045 133.89 -73.001 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.52 ' C ' HG11 ' B' ' 2' ' ' VAL . 12.0 t -93.84 20.9 7.09 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.996 -1.065 . . . . 0.08 109.637 179.635 -165.273 130.582 -131.792 105.077 2.024 103.779 177.264 69.395 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . 0.425 ' O ' HG13 ' B' ' 2' ' ' VAL . 17.1 p -119.3 -43.63 2.61 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.031 -1.043 . . . . 0.27 108.976 179.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.35 22.98 1.84 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.405 -0.809 . . . . 0.32 109.724 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.574 HD11 ' CB ' ' B' ' 5' ' ' HIS . 85.1 mt 61.58 122.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-O 121.671 0.748 . . . . 0.15 110.648 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 64.9 m -79.83 157.93 26.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.422 -0.799 . . . . 0.03 109.072 179.155 -73.001 133.89 -89.245 104.045 2.02 104.471 -42.993 -54.347 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 12.5 p -88.28 161.77 16.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.236 -0.915 . . . . 0.24 109.156 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.42 -44.51 65.47 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.321 -0.862 . . . . 0.21 110.306 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -66.3 -26.73 67.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.025 -1.047 . . . . 0.54 109.985 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -76.35 -34.49 58.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.172 -0.955 . . . . 0.24 109.489 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.31 -29.17 65.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.504 -0.747 . . . . 0.02 109.94 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.69 -37.93 77.15 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.362 -0.836 . . . . 0.28 110.136 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -53.77 -29.73 41.34 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.031 -1.043 . . . . 0.41 110.089 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . 0.764 ' CD1' HD12 ' I' ' 2' ' ' ILE . 56.9 m-85 -90.9 -11.05 40.33 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.079 -1.013 . . . . 0.1 110.686 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.39 163.2 2.41 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.825 -1.172 . . . . 0.06 109.385 179.651 -155.674 65.645 173.121 104.002 2.018 103.949 -79.073 -75.264 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' J' ' 23' ' ' GLY . 20.0 t-20 . . . . . 0 C--N 1.299 -1.615 0 CA-C-O 117.928 -1.034 . . . . 0.4 109.584 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 41.9 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.464 0.649 . . . . 0.56 109.556 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.465 HG11 ' C ' ' E' ' 7' ' ' CYS . 33.3 m -78.49 -27.9 14.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.299 -0.875 . . . . 0.05 109.455 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.08 -43.57 63.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.23 110.697 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.591 ' CG ' HG11 ' I' ' 3' ' ' VAL . 16.4 tt0 -57.64 -58.78 6.83 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 120.908 -1.12 . . . . 0.24 110.525 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.545 ' CB ' HD11 ' E' ' 10' ' ' ILE . 7.0 t60 -63.34 -12.69 31.91 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.403 -0.811 . . . . 0.06 111.078 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.442 HD21 ' H3 ' ' E' ' 22' ' ' IPH . 29.6 mt -102.79 -54.07 2.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.998 -1.064 . . . . 0.04 110.039 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 20.7 p -63.22 -34.65 78.1 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.027 -1.045 . . . . 0.02 109.37 -179.812 69.395 177.264 -131.792 103.779 2.024 105.077 130.582 -165.273 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.4 -26.55 37.72 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -29.73 69.87 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.404 -1.056 . . . . 0.0 109.744 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -89.12 -26.47 21.32 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.259 -0.901 . . . . 0.03 109.766 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . . . . . . . . . 25.0 mt -61.29 -42.06 98.01 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.403 HG12 ' HE2' ' J' ' 24' ' ' PHE . 16.7 m -64.33 -36.24 76.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.665 -0.647 . . . . 0.01 109.866 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.443 ' HA ' ' CE1' ' J' ' 16' ' ' TYR . 2.8 mt-10 -57.79 -42.83 84.94 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.934 -1.103 . . . . 0.05 109.014 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.604 ' HB2' ' H5 ' ' I' ' 22' ' ' IPH . . . -74.79 -37.34 62.41 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.231 -0.918 . . . . 0.01 109.357 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' J' ' 15' ' ' LEU . 26.0 mt -56.43 -65.98 0.52 Allowed 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.318 -0.864 . . . . 0.0 110.356 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.501 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 0.0 OUTLIER -65.81 -10.51 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.941 -1.099 . . . . 0.02 110.754 -178.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.554 HD21 ' HB1' ' D' ' 14' ' ' ALA . 3.9 tp -81.64 -44.13 17.62 Favored 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 106.952 -1.499 . . . . 0.1 106.952 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.466 HG23 ' O ' ' J' ' 14' ' ' ALA . 93.5 t -69.22 -41.98 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.39 0 N-CA-C 108.237 -1.023 . . . . 0.14 108.237 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -69.0 -25.26 64.42 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.474 -0.766 . . . . 0.05 109.234 179.743 -75.264 -79.073 173.121 103.949 2.018 104.002 65.645 -155.674 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.22 -100.87 0.75 Allowed Glycine 0 N--CA 1.487 2.085 0 N-CA-C 109.425 -1.47 . . . . 0.15 109.425 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.5 -24.04 16.27 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.129 -1.218 . . . . 0.43 109.446 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.67 159.14 11.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.064 -1.023 . . . . 0.34 109.064 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . -98.33 -178.71 32.77 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.694 -1.362 . . . . 0.01 109.694 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 26.4 p90 -155.77 145.77 21.46 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.292 -1.122 . . . . 0.01 109.455 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . 0.41 ' O ' ' CD1' ' J' ' 25' ' ' PHE . 10.6 p90 -97.28 119.49 35.89 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 119.532 -0.867 . . . . 0.32 109.027 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -107.94 113.8 27.27 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.388 -0.82 . . . . 0.0 109.535 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.416 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 44.1 m -124.61 100.6 34.5 Favored Pre-proline 0 C--N 1.301 -1.522 0 O-C-N 121.193 -0.942 . . . . 0.22 108.981 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.473 ' HA ' HG21 ' I' ' 3' ' ' VAL . 34.6 Cg_endo -76.92 -17.1 15.71 Favored 'Trans proline' 0 C--O 1.215 -0.66 0 C-N-CA 121.305 1.337 . . . . 0.05 110.891 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.28 74.71 0.52 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.07 -1.019 . . . . 0.42 109.031 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.3 m . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 118.067 -0.968 . . . . 0.41 109.425 -179.814 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.447 0 N-CA-C 109.414 -1.474 . . . . 0.3 109.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.757 HD12 ' CD1' ' K' ' 19' ' ' TYR . 15.3 tt -119.12 -37.39 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.258 -1.142 . . . . 0.03 109.032 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.594 HG11 ' CG ' ' L' ' 4' ' ' GLN . 21.4 t -72.77 -57.24 7.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 121.333 -0.855 . . . . 0.0 109.509 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -57.89 -24.86 59.58 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.423 -0.798 . . . . 0.39 109.891 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -83.76 -36.75 23.38 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.258 -0.901 . . . . 0.23 110.808 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.61 -19.67 18.16 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.05 -1.032 . . . . 0.0 111.012 -178.423 -54.351 -43.127 -88.91 104.423 2.021 104.153 133.827 -73.199 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.513 ' C ' HG11 ' H' ' 2' ' ' VAL . 11.8 t -93.52 20.9 6.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.126 -0.984 . . . . 0.08 109.694 179.717 -165.127 130.681 -132.053 105.001 2.023 103.846 177.383 69.295 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 17.1 p -119.23 -43.54 2.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.014 -1.054 . . . . 0.28 108.893 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.2 22.93 1.87 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.349 -0.845 . . . . 0.33 109.681 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.539 HD11 ' CB ' ' H' ' 5' ' ' HIS . 84.8 mt 61.57 121.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.465 -0.772 . . . . 0.14 110.731 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.59 157.86 27.23 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.536 -0.728 . . . . 0.04 109.043 179.379 -73.199 133.827 -88.91 104.153 2.021 104.423 -43.127 -54.351 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -88.06 162.11 16.98 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.285 -0.884 . . . . 0.24 109.165 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -52.71 -44.66 66.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.251 -0.905 . . . . 0.2 110.302 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -66.13 -26.99 67.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.998 -1.064 . . . . 0.52 109.98 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -76.09 -34.44 59.52 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.23 109.509 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 92.0 mt -70.48 -28.97 65.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.412 -0.805 . . . . 0.02 109.934 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.77 -38.17 77.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.215 -0.928 . . . . 0.29 110.219 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -53.45 -30.13 39.16 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.05 -1.031 . . . . 0.41 110.081 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . 0.757 ' CD1' HD12 ' K' ' 2' ' ' ILE . 56.6 m-85 -90.51 -10.87 41.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.026 -1.046 . . . . 0.1 110.636 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 4.3 t -57.68 162.97 2.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.771 -1.206 . . . . 0.06 109.54 179.708 -155.917 65.659 172.93 103.926 2.017 104.017 -78.923 -75.307 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' L' ' 23' ' ' GLY . 20.1 t-20 . . . . . 0 C--N 1.301 -1.537 0 CA-C-O 117.929 -1.034 . . . . 0.41 109.627 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.344 0.593 . . . . 0.55 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.477 HG11 ' C ' ' C' ' 7' ' ' CYS . 33.5 m -78.03 -28.09 15.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 O-C-N 121.337 -0.852 . . . . 0.05 109.659 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -51.86 -43.29 63.18 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.226 -0.921 . . . . 0.22 110.652 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.594 ' CG ' HG11 ' K' ' 3' ' ' VAL . 16.2 tt0 -58.01 -58.74 7.07 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.915 -1.116 . . . . 0.25 110.504 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.591 ' CB ' HD11 ' C' ' 10' ' ' ILE . 6.9 t60 -63.44 -12.41 31.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.32 -0.862 . . . . 0.06 111.131 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.492 HD21 ' H3 ' ' C' ' 22' ' ' IPH . 30.1 mt -103.18 -53.4 2.83 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.831 -1.168 . . . . 0.04 110.072 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 20.9 p -63.94 -34.37 77.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.058 -1.026 . . . . 0.02 109.374 -179.825 69.295 177.383 -132.053 103.846 2.023 105.001 130.681 -165.127 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.69 -26.69 40.3 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.3 -29.67 69.93 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.368 -1.078 . . . . 0.0 109.751 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -89.13 -26.58 21.25 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.215 -0.928 . . . . 0.03 109.784 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . . . . . . . . . 25.2 mt -61.15 -41.9 97.59 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.413 HG12 ' HE2' ' L' ' 24' ' ' PHE . 16.6 m -64.53 -35.8 75.56 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.605 -0.684 . . . . 0.01 109.818 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.447 ' HA ' ' CE1' ' L' ' 16' ' ' TYR . 2.8 mt-10 -58.18 -42.9 87.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.05 -1.031 . . . . 0.05 108.943 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.604 ' HB2' ' H5 ' ' K' ' 22' ' ' IPH . . . -74.65 -37.59 62.71 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.209 -0.932 . . . . 0.01 109.371 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' L' ' 15' ' ' LEU . 26.3 mt -56.16 -66.21 0.47 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.533 -0.729 . . . . 0.0 110.367 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.503 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 0.0 OUTLIER -65.73 -10.69 39.14 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.987 -1.071 . . . . 0.02 110.75 -178.488 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.542 HD21 ' HB1' ' F' ' 14' ' ' ALA . 4.0 tp -81.39 -44.63 17.27 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.877 -1.527 . . . . 0.11 106.877 177.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.48 HG23 ' O ' ' L' ' 14' ' ' ALA . 92.9 t -68.59 -42.5 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 N-CA-C 108.258 -1.016 . . . . 0.14 108.258 178.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -68.49 -25.54 65.02 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.598 -0.689 . . . . 0.05 109.196 179.79 -75.307 -78.923 172.93 104.017 2.017 103.926 65.659 -155.917 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.55 -100.61 0.76 Allowed Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.5 -1.44 . . . . 0.15 109.5 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -96.61 -24.63 15.93 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.198 -1.177 . . . . 0.43 109.507 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.05 159.19 9.8 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.173 -0.954 . . . . 0.33 109.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.431 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -98.7 -178.48 32.29 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.504 -1.439 . . . . 0.01 109.504 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 25.6 p90 -155.65 146.03 21.84 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.184 -1.186 . . . . 0.01 109.523 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' L' ' 25' ' ' PHE . 10.6 p90 -97.42 119.52 36.11 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.343 -0.848 . . . . 0.32 109.066 179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -108.03 113.5 26.71 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.536 -0.727 . . . . 0.0 109.653 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 42.9 m -124.64 100.67 34.31 Favored Pre-proline 0 C--N 1.302 -1.493 0 O-C-N 121.304 -0.873 . . . . 0.22 109.029 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.466 ' HA ' HG21 ' K' ' 3' ' ' VAL . 35.0 Cg_endo -77.2 -16.82 15.37 Favored 'Trans proline' 0 C--O 1.215 -0.661 0 C-N-CA 121.377 1.385 . . . . 0.04 110.779 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 74.58 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.001 -1.062 . . . . 0.42 108.941 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 118.009 -0.996 . . . . 0.43 109.49 -179.854 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.587 ' H5 ' ' HB2' ' B' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.592 ' H5 ' ' HB2' ' D' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.579 ' H5 ' ' HB2' ' F' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.58 ' H5 ' ' HB2' ' H' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.604 ' H5 ' ' HB2' ' J' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.604 ' H5 ' ' HB2' ' L' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_