data_1dvc_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 1dvc _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.0 ttt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.99 -0.744 . . . . 11.82 108.99 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 49.2 mm 56.67 75.12 0.6 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.105 -0.997 . . . . 8.74 109.049 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -77.55 72.32 6.08 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.355 2.036 . . . . 7.49 110.408 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 66.8 99.53 0.02 OUTLIER Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.137 -1.585 . . . . 3.74 109.137 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -43.8 -87.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.938 -1.665 . . . . 1.85 108.938 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.5 mt 52.76 35.99 20.07 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.442 -1.034 . . . . 1.84 110.054 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.425 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -60.0 -176.75 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.171 -0.956 . . . . 1.77 109.366 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' SER . 3.7 tt0 -44.71 161.36 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 2.47 109.496 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.95 85.95 0.7 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.253 -0.904 . . . . 1.28 109.023 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HB3' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -51.68 159.07 1.37 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 1.9 110.32 -179.342 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 35.9 Cg_endo -79.62 118.37 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.751 2.3 . . . . 0.36 109.898 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' ' 47' ' ' ALA . . . -42.01 159.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 1.04 109.911 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.627 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 1.3 p -143.08 -167.47 0.15 Allowed Pre-proline 0 N--CA 1.49 1.562 0 N-CA-C 107.919 -1.141 . . . . 1.1 107.919 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 18' ' ' THR . 31.8 Cg_endo -75.91 -17.01 17.94 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.263 1.309 . . . . 0.51 109.85 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.18 -35.4 17.39 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.135 -1.061 . . . . 2.12 108.135 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.549 HD13 ' CE2' ' A' ' 50' ' ' TYR . 14.5 mm -68.92 -52.9 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.365 -0.976 . . . . 1.18 108.365 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -54.64 -20.98 9.23 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.203 -1.036 . . . . 1.32 108.203 179.033 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.63 -41.09 32.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.202 -0.936 . . . . 2.24 108.936 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.467 HG12 HD22 ' A' ' 108' ' ' LEU . 6.7 mt -59.98 -47.92 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.349 -0.844 . . . . 1.07 109.173 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.527 ' CG2' ' CD1' ' A' ' 45' ' ' LEU . 2.1 p -74.01 -30.97 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.327 -0.858 . . . . 1.07 109.37 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.47 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 64.3 t0 -72.5 -18.39 61.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.924 . . . . 1.29 108.946 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -89.17 -23.03 22.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.405 -0.809 . . . . 2.91 109.026 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 25' ' ' VAL . 28.6 m -102.66 1.74 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 1.15 109.429 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.6 ttpp -53.96 -44.35 98.11 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 2.29 110.291 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 34.3 Cg_endo -76.72 -31.18 4.27 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.719 1.612 . . . . 0.36 109.857 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 30.3 mt-30 -76.65 -5.26 47.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.314 -0.866 . . . . 1.25 108.972 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.513 ' O ' ' CG2' ' A' ' 36' ' ' THR . 1.5 mt -95.45 -40.84 9.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.853 . . . . 1.26 109.707 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.21 -17.11 64.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.198 -0.939 . . . . 2.03 110.164 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -104.85 -11.12 16.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.002 -1.061 . . . . 2.15 110.076 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -98.91 -27.17 14.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.085 -1.01 . . . . 3.05 109.661 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.561 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 3.9 t -109.72 -23.27 11.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.996 . . . . 2.01 109.432 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 36' ' ' THR . 0.6 OUTLIER 87.69 28.56 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.136 0.493 . . . . 2.31 110.383 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' HB2' HG22 ' A' ' 36' ' ' THR . 3.0 mm-40 -115.77 172.82 6.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.042 . . . . 2.96 109.574 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -115.05 60.65 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 2.52 109.669 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CZ ' ' SD ' ' A' ' 95' ' ' MET . 23.2 m-85 -52.98 -176.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.966 . . . . 2.15 109.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.86 -140.69 3.14 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.991 -1.644 . . . . 0.63 108.991 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -53.72 125.29 17.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -1.225 . . . . 3.42 109.072 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' CD1' ' CG2' ' A' ' 25' ' ' VAL . 37.0 mt -107.99 62.95 0.61 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.165 -0.96 . . . . 1.11 110.315 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.35 107.5 0.13 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 2.05 109.305 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.509 ' HA ' ' CG1' ' A' ' 64' ' ' VAL . . . -64.33 136.91 57.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.981 . . . . 1.06 109.967 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG22 ' HD3' ' A' ' 65' ' ' ARG . 13.5 t -115.14 -44.17 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 1.11 108.955 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HG3' HG13 ' A' ' 48' ' ' VAL . 70.0 mt-30 -142.66 172.78 12.22 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.61 -0.885 . . . . 2.23 108.61 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.549 ' CE2' HD13 ' A' ' 21' ' ' ILE . 13.8 p90 -174.1 134.78 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.81 -1.181 . . . . 2.32 110.963 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 61' ' ' TYR . 5.5 mttp -107.86 137.97 44.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.479 -0.763 . . . . 2.04 108.98 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -84.65 -172.73 4.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 1.45 109.245 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.57 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -161.84 -173.86 3.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -0.932 . . . . 2.11 109.196 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.54 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -158.8 154.19 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 1.51 109.911 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.54 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER 172.42 -96.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.834 -1.173 . . . . 1.43 107.834 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -100.46 17.06 22.59 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.125 -1.065 . . . . 1.29 108.125 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.479 ' HA2' HD12 ' A' ' 102' A LEU . . . 169.97 -97.13 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 108.533 -1.827 . . . . 0.62 108.533 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 57' ' ' GLY . 22.0 m -167.51 97.98 0.49 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -1.177 . . . . 1.16 109.952 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.483 ' HA ' ' HA ' ' A' ' 100' ' ' PHE . 70.5 m-20 -66.91 -167.8 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.224 -0.922 . . . . 0.83 109.03 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' O ' ' CD1' ' A' ' 61' ' ' TYR . 40.0 m-85 -148.94 165.84 30.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.883 -1.135 . . . . 2.1 111.123 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 60' ' ' TYR . 14.4 m-85 -148.81 123.11 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.09 -1.819 . . . . 2.25 106.09 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.536 HG23 ' CG1' ' A' ' 64' ' ' VAL . 55.3 mt -142.96 132.23 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 120.338 -1.476 . . . . 1.07 111.24 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HB2' ' CD2' ' A' ' 96' ' ' HIS . 3.1 ttpp -103.21 73.81 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.918 -1.142 . . . . 3.26 107.918 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.536 ' CG1' HG23 ' A' ' 62' ' ' ILE . 4.3 m -82.32 148.56 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 1.6 110.794 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.523 ' HA ' ' HA ' ' A' ' 94' ' ' TYR . 1.9 mtm180 -81.49 135.52 35.61 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.637 -0.875 . . . . 2.96 108.637 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.27 67.92 9.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.094 -1.004 . . . . 1.21 109.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.98 -85.52 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.058 -1.217 . . . . 0.63 110.058 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 1.6 m-20 -68.48 -164.98 0.05 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -1.106 . . . . 2.54 110.056 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.33 -18.66 51.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.439 -0.788 . . . . 3.0 110.061 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -57.89 167.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.172 -0.955 . . . . 2.68 109.545 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 65' ' ' ARG . 7.6 m-85 -135.85 -168.67 2.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 2.09 109.228 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.569 ' SD ' ' CZ ' ' A' ' 40' ' ' TYR . 11.2 ttp 179.36 101.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 1.94 109.961 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 63' ' ' LYS . 6.8 m170 -55.84 -177.0 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.32 108.831 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.525 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 12.8 tp -163.39 155.39 17.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.888 -1.132 . . . . 2.07 110.31 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 125' ' ' PHE . 57.6 tttt -145.54 121.3 10.54 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.565 -0.902 . . . . 2.68 108.565 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 109' ' ' VAL . 14.6 t -133.94 156.75 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 1.06 110.051 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 1.3 t80 -114.73 135.66 53.92 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.927 -0.768 . . . . 2.1 108.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.552 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.2 tttt -116.74 126.83 53.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.821 -1.174 . . . . 2.52 110.795 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.6 m -82.76 123.17 29.07 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.151 -1.055 . . . . 2.39 108.151 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' A LEU . . . . . 0.587 ' N ' ' CD ' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -66.56 -50.36 46.93 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.825 -1.172 . . . . 2.74 108.441 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 102' A LEU . 36.5 Cg_endo -81.92 173.65 10.91 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.378 2.052 . . . . 5.07 110.105 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.93 157.59 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.751 -1.214 . . . . 5.28 110.667 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 106' ' ' GLU . 3.5 mp0 -88.82 -135.46 0.1 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.515 -0.991 . . . . 8.27 109.076 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' A ASN . . . . . . . . . . . . . 62.9 t-20 -52.67 89.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.184 -0.948 . . . . 7.15 109.326 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -79.49 -179.82 7.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 6.3 110.023 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 108' ' ' LEU . 0.8 OUTLIER -144.23 86.45 1.84 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 3.07 108.843 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 107' ' ' ASP . 7.4 mp -34.35 121.46 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.45 0.643 . . . . 1.22 110.545 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 99' ' ' VAL . 7.2 p -90.53 160.79 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 1.12 109.683 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 113' ' ' TYR . 23.2 tp -94.83 83.99 4.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 1.04 108.877 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -55.43 -37.97 68.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 1.17 110.434 -179.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.462 ' O ' ' HB3' ' A' ' 113' ' ' TYR . . . -167.69 -170.29 32.29 Favored Glycine 0 N--CA 1.492 2.431 0 C-N-CA 119.481 -1.342 . . . . 0.41 110.354 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 113' ' ' TYR . 26.0 p90 173.51 136.59 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.424 -1.045 . . . . 2.0 109.382 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.505 ' CB ' ' HD3' ' A' ' 116' ' ' LYS . 4.6 mm-40 -97.37 95.58 7.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.051 -1.031 . . . . 1.42 109.221 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.516 ' CG2' ' OH ' ' A' ' 40' ' ' TYR . 9.9 p -63.98 165.18 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.312 -0.868 . . . . 1.28 110.091 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' A ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 115' ' ' VAL . 6.8 t0 42.29 55.94 3.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.468 -0.77 . . . . 1.23 110.203 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.505 ' HD3' ' CB ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -110.21 162.26 14.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.997 . . . . 4.48 109.006 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.81 -167.43 1.43 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 2.32 109.779 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -85.63 -24.8 26.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.463 -0.773 . . . . 3.52 109.395 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -74.5 -11.93 60.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.13 -0.982 . . . . 2.32 109.148 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.41 ' O ' ' CE1' ' A' ' 96' ' ' HIS . 25.6 t70 -88.56 114.27 25.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.383 -0.823 . . . . 1.78 109.11 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.457 ' O ' HG22 ' A' ' 123' ' ' THR . 10.6 tt0 -87.03 145.2 26.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 2.54 109.829 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 96' ' ' HIS . 1.1 mt -59.27 -48.35 81.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 1.37 109.508 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . 0.457 HG22 ' O ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER 47.74 -168.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 1.66 108.972 -179.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 123' ' ' THR . . . -72.86 94.77 0.69 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.308 -1.517 . . . . 1.86 109.308 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.179 -1.189 . . . . 2.35 109.417 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.0 ttt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.99 -0.744 . . . . 11.45 108.99 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 7' ' ' ILE . 49.2 mm 56.67 75.12 0.6 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.105 -0.997 . . . . 8.42 109.049 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -77.55 72.32 6.08 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.355 2.036 . . . . 6.71 110.408 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 66.8 99.53 0.02 OUTLIER Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.137 -1.585 . . . . 3.61 109.137 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -43.8 -87.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.938 -1.665 . . . . 1.31 108.938 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' CE2' ' A' ' 61' ' ' TYR . 6.5 mt 52.76 35.99 20.07 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.442 -1.034 . . . . 1.29 110.054 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.438 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -60.0 -176.75 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.171 -0.956 . . . . 1.44 109.366 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' SER . 3.7 tt0 -44.71 161.36 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 2.47 109.496 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.95 85.95 0.7 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.253 -0.904 . . . . 0.56 109.023 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -51.68 159.07 1.37 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 1.34 110.32 -179.342 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 15' ' ' LYS . 35.9 Cg_endo -79.62 118.37 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.751 2.3 . . . . 0.33 109.898 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' ' 47' ' ' ALA . . . -42.01 159.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.54 109.911 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.627 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 1.3 p -143.08 -167.47 0.15 Allowed Pre-proline 0 N--CA 1.49 1.562 0 N-CA-C 107.919 -1.141 . . . . 0.39 107.919 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 18' ' ' THR . 31.8 Cg_endo -75.91 -17.01 17.94 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.263 1.309 . . . . 0.45 109.85 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.18 -35.4 17.39 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.135 -1.061 . . . . 2.12 108.135 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.8 ' HA ' HD12 ' A' ' 24' ' ' ILE . 14.5 mm -68.92 -52.9 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.365 -0.976 . . . . 0.41 108.365 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 1.7 tp60 -54.64 -20.98 9.23 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.203 -1.036 . . . . 1.32 108.203 179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.63 -41.09 32.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.202 -0.936 . . . . 2.24 108.936 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 21' ' ' ILE . 6.7 mt -59.98 -47.92 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.349 -0.844 . . . . 0.26 109.173 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.894 HG11 HG11 ' A' ' 64' ' ' VAL . 2.1 p -74.01 -30.97 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.327 -0.858 . . . . 0.3 109.37 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 64.3 t0 -72.5 -18.39 61.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.924 . . . . 1.29 108.946 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -89.17 -23.03 22.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.405 -0.809 . . . . 2.49 109.026 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.074 HG21 HD21 ' A' ' 97' ' ' LEU . 28.6 m -102.66 1.74 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.37 109.429 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.6 ttpp -53.96 -44.35 98.11 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 1.75 110.291 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 34.3 Cg_endo -76.72 -31.18 4.27 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.719 1.612 . . . . 0.32 109.857 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 97.8 mt-30 -76.65 -5.26 47.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.314 -0.866 . . . . 1.25 108.972 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.998 ' O ' HG22 ' A' ' 36' ' ' THR . 1.5 mt -95.45 -40.84 9.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.853 . . . . 0.6 109.707 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.21 -17.11 64.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.198 -0.939 . . . . 2.03 110.164 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -104.85 -11.12 16.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.002 -1.061 . . . . 2.15 110.076 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -98.91 -27.17 14.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.085 -1.01 . . . . 2.62 109.661 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.998 HG22 ' O ' ' A' ' 32' ' ' LEU . 3.9 t -109.72 -23.27 11.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.996 . . . . 1.53 109.432 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 36' ' ' THR . 0.6 OUTLIER 87.69 28.56 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.136 0.493 . . . . 1.98 110.383 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -115.77 172.82 6.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.042 . . . . 2.96 109.574 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -115.05 60.65 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 2.04 109.669 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.676 ' OH ' HG21 ' A' ' 36' ' ' THR . 23.2 m-85 -52.98 -176.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.966 . . . . 1.29 109.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.86 -140.69 3.14 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.991 -1.644 . . . . 0.5 108.991 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -53.72 125.29 17.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -1.225 . . . . 3.01 109.072 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.642 HD12 HG22 ' A' ' 25' ' ' VAL . 37.0 mt -107.99 62.95 0.61 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.165 -0.96 . . . . 0.3 110.315 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.35 107.5 0.13 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 2.05 109.305 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.88 ' HA ' HG12 ' A' ' 64' ' ' VAL . . . -64.33 136.91 57.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.981 . . . . 0.42 109.967 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' HG3' ' A' ' 49' ' ' GLN . 13.5 t -115.14 -44.17 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 0.28 108.955 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HG3' HG12 ' A' ' 48' ' ' VAL . 70.0 mt-30 -142.66 172.78 12.22 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.61 -0.885 . . . . 2.23 108.61 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 61' ' ' TYR . 13.8 p90 -174.1 134.78 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.81 -1.181 . . . . 1.4 110.963 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 61' ' ' TYR . 5.5 mttp -107.86 137.97 44.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.479 -0.763 . . . . 1.49 108.98 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -84.65 -172.73 4.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 0.88 109.245 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.594 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -161.84 -173.86 3.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -0.932 . . . . 1.83 109.196 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.893 ' O ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -158.8 154.19 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 0.9 109.911 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER 172.42 -96.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.834 -1.173 . . . . 0.84 107.834 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.583 ' HB3' ' HZ ' ' A' ' 100' ' ' PHE . . . -100.46 17.06 22.59 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.125 -1.065 . . . . 0.82 108.125 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.62 ' HA2' HD11 ' A' ' 102' A LEU . . . 169.97 -97.13 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 108.533 -1.827 . . . . 0.58 108.533 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 57' ' ' GLY . 22.0 m -167.51 97.98 0.49 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -1.177 . . . . 0.44 109.952 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.568 ' ND2' HG21 ' A' ' 55' ' ' VAL . 70.5 m-20 -66.91 -167.8 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.224 -0.922 . . . . 0.67 109.03 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' O ' ' CD1' ' A' ' 61' ' ' TYR . 40.0 m-85 -148.94 165.84 30.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.883 -1.135 . . . . 1.21 111.123 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.889 ' HB3' HD22 ' A' ' 122' ' ' LEU . 14.4 m-85 -148.81 123.11 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.09 -1.819 . . . . 1.34 106.09 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.763 HG22 HG13 ' A' ' 64' ' ' VAL . 55.3 mt -142.96 132.23 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 120.338 -1.476 . . . . 0.24 111.24 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HD2' ' HA ' ' A' ' 118' ' ' LYS . 3.1 ttpp -103.21 73.81 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.918 -1.142 . . . . 2.8 107.918 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.894 HG11 HG11 ' A' ' 25' ' ' VAL . 4.3 m -82.32 148.56 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 0.97 110.794 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 94' ' ' TYR . 1.9 mtm180 -81.49 135.52 35.61 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.637 -0.875 . . . . 2.51 108.637 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.27 67.92 9.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.094 -1.004 . . . . 0.41 109.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.98 -85.52 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.058 -1.217 . . . . 0.63 110.058 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 1.6 m-20 -68.48 -164.98 0.05 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -1.106 . . . . 2.54 110.056 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.33 -18.66 51.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.439 -0.788 . . . . 2.29 110.061 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -57.89 167.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.172 -0.955 . . . . 2.27 109.545 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 65' ' ' ARG . 7.6 m-85 -135.85 -168.67 2.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 1.26 109.228 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.569 ' SD ' ' CZ ' ' A' ' 40' ' ' TYR . 11.2 ttp 179.36 101.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 1.47 109.961 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.63 ' CE1' ' HG ' ' A' ' 122' ' ' LEU . 2.8 m-70 -55.84 -177.0 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.25 108.831 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.074 HD21 HG21 ' A' ' 28' ' ' VAL . 12.8 tp -163.39 155.39 17.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.888 -1.132 . . . . 1.45 110.31 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 125' ' ' PHE . 57.6 tttt -145.54 121.3 10.54 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.565 -0.902 . . . . 2.06 108.565 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.519 HG11 ' HB3' ' A' ' 108' ' ' LEU . 14.6 t -133.94 156.75 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.25 110.051 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.583 ' HZ ' ' HB3' ' A' ' 56' ' ' ALA . 1.3 t80 -114.73 135.66 53.92 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.927 -0.768 . . . . 1.23 108.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.2 tttt -116.74 126.83 53.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.821 -1.174 . . . . 2.02 110.795 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.6 m -82.76 123.17 29.07 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.151 -1.055 . . . . 2.04 108.151 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' A LEU . . . . . 0.708 HD12 ' HD3' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -66.56 -50.36 46.93 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.825 -1.172 . . . . 2.74 108.441 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.708 ' HD3' HD12 ' A' ' 102' A LEU . 36.5 Cg_endo -81.92 173.65 10.91 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.378 2.052 . . . . 4.49 110.105 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.93 157.59 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.751 -1.214 . . . . 5.28 110.667 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 106' ' ' GLU . 3.5 mp0 -88.82 -135.46 0.1 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.515 -0.991 . . . . 7.74 109.076 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' A ASN . . . . . . . . . . . . . 62.9 t-20 -52.67 89.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.184 -0.948 . . . . 6.53 109.326 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -79.49 -179.82 7.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 6.3 110.023 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 108' ' ' LEU . 0.8 OUTLIER -144.23 86.45 1.84 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 3.07 108.843 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' A' ' 99' ' ' VAL . 7.4 mp -34.35 121.46 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.45 0.643 . . . . 0.64 110.545 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 110' ' ' LEU . 7.2 p -90.53 160.79 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 0.28 109.683 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 1.003 HD21 ' CD2' ' A' ' 113' ' ' TYR . 23.2 tp -94.83 83.99 4.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 0.25 108.877 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.411 ' OG1' ' HG2' ' A' ' 98' ' ' LYS . 0.7 OUTLIER -55.43 -37.97 68.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 0.45 110.434 -179.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 113' ' ' TYR . . . -167.69 -170.29 32.29 Favored Glycine 0 N--CA 1.492 2.431 0 C-N-CA 119.481 -1.342 . . . . 0.34 110.354 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 1.003 ' CD2' HD21 ' A' ' 110' ' ' LEU . 26.0 p90 173.51 136.59 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.424 -1.045 . . . . 1.19 109.382 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.497 ' NE2' ' CD1' ' A' ' 125' ' ' PHE . 4.6 mm-40 -97.37 95.58 7.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.051 -1.031 . . . . 1.34 109.221 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.658 HG23 ' OH ' ' A' ' 40' ' ' TYR . 9.9 p -63.98 165.18 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.312 -0.868 . . . . 0.51 110.091 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' A ASP . . . . . 0.484 ' N ' HG22 ' A' ' 115' ' ' VAL . 6.8 t0 42.29 55.94 3.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.468 -0.77 . . . . 1.23 110.203 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.492 ' HD3' ' CB ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -110.21 162.26 14.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.997 . . . . 4.04 109.006 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.81 -167.43 1.43 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 1.88 109.779 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -85.63 -24.8 26.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.463 -0.773 . . . . 3.02 109.395 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -74.5 -11.93 60.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.13 -0.982 . . . . 2.32 109.148 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -88.56 114.27 25.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.383 -0.823 . . . . 1.78 109.11 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.685 ' O ' HG23 ' A' ' 123' ' ' THR . 10.6 tt0 -87.03 145.2 26.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 2.54 109.829 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.889 HD22 ' HB3' ' A' ' 61' ' ' TYR . 1.1 mt -59.27 -48.35 81.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 1.37 109.508 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER 47.74 -168.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 1.61 108.972 -179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 123' ' ' THR . . . -72.86 94.77 0.69 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.308 -1.517 . . . . 1.86 109.308 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.179 -1.189 . . . . 2.15 109.417 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 12.0 ttt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.99 -0.744 . . . . 11.449999999999999 108.99 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 7' ' ' ILE . 49.2 mm 56.67 75.12 0.6 Allowed Pre-proline 0 N--CA 1.49 1.541 0 O-C-N 121.105 -0.997 . . . . 8.4199999999999999 109.049 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -77.55 72.32 6.08 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.355 2.036 . . . . 6.71 110.408 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 66.8 99.53 0.02 OUTLIER Glycine 0 N--CA 1.488 2.143 0 N-CA-C 109.137 -1.585 . . . . 3.6099999999999999 109.137 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -43.8 -87.43 0.01 OUTLIER Glycine 0 N--CA 1.49 2.268 0 N-CA-C 108.938 -1.665 . . . . 1.3100000000000001 108.938 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' CE2' ' A' ' 61' ' ' TYR . 6.5 mt 52.76 35.99 20.07 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.442 -1.034 . . . . 1.29 110.054 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.438 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 0.6 OUTLIER -60.0 -176.75 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.171 -0.956 . . . . 1.4399999999999999 109.366 179.494 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' SER . 3.7 tt0 -44.71 161.36 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.123 -0.986 . . . . 2.4700000000000002 109.496 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.95 85.95 0.7 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.253 -0.904 . . . . 0.56000000000000005 109.023 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' HB3' ' HD2' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -51.68 159.07 1.37 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.334 -0.854 . . . . 1.3400000000000001 110.32 -179.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 15' ' ' LYS . 35.9 Cg_endo -79.62 118.37 3.84 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.751 2.3 . . . . 0.33000000000000002 109.898 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' ' 47' ' ' ALA . . . -42.01 159.24 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.278 -0.889 . . . . 0.54000000000000004 109.911 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.627 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 1.3 p -143.08 -167.47 0.15 Allowed Pre-proline 0 N--CA 1.49 1.562 0 N-CA-C 107.919 -1.141 . . . . 0.39000000000000001 107.919 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.627 ' CD ' ' CB ' ' A' ' 18' ' ' THR . 31.8 Cg_endo -75.91 -17.01 17.94 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 C-N-CA 121.263 1.309 . . . . 0.45000000000000001 109.85 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -88.18 -35.4 17.39 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.135 -1.061 . . . . 2.1200000000000001 108.135 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.8 ' HA ' HD12 ' A' ' 24' ' ' ILE . 14.5 mm -68.92 -52.9 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.365 -0.976 . . . . 0.40999999999999998 108.365 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -54.64 -20.98 9.23 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 108.203 -1.036 . . . . 1.3200000000000001 108.203 179.033 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -78.63 -41.09 32.48 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.202 -0.936 . . . . 2.2400000000000002 108.936 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.8 HD12 ' HA ' ' A' ' 21' ' ' ILE . 6.7 mt -59.98 -47.92 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.349 -0.844 . . . . 0.26000000000000001 109.173 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.894 HG11 HG11 ' A' ' 64' ' ' VAL . 2.1 p -74.01 -30.97 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.327 -0.858 . . . . 0.29999999999999999 109.37 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 64.3 t0 -72.5 -18.39 61.66 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.222 -0.924 . . . . 1.29 108.946 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -89.17 -23.03 22.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.405 -0.809 . . . . 2.4900000000000002 109.026 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.074 HG21 HD21 ' A' ' 97' ' ' LEU . 28.6 m -102.66 1.74 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.377 -0.827 . . . . 0.37 109.429 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.606 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.6 ttpp -53.96 -44.35 98.11 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 1.75 110.291 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 29' ' ' LYS . 34.3 Cg_endo -76.72 -31.18 4.27 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 121.719 1.612 . . . . 0.32000000000000001 109.857 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' O ' ' HB2' ' A' ' 35' ' ' LYS . 30.3 mt-30 -76.65 -5.26 47.14 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.314 -0.866 . . . . 1.25 108.972 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.998 ' O ' HG22 ' A' ' 36' ' ' THR . 1.5 mt -95.45 -40.84 9.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.334 -0.853 . . . . 0.59999999999999998 109.707 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.21 -17.11 64.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.198 -0.939 . . . . 2.0299999999999998 110.164 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -104.85 -11.12 16.91 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.002 -1.061 . . . . 2.1499999999999999 110.076 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 31' ' ' GLN . 0.1 OUTLIER -98.91 -27.17 14.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.085 -1.01 . . . . 2.6200000000000001 109.661 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.998 HG22 ' O ' ' A' ' 32' ' ' LEU . 3.9 t -109.72 -23.27 11.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.107 -0.996 . . . . 1.53 109.432 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.561 ' CB ' ' O ' ' A' ' 36' ' ' THR . 0.6 OUTLIER 87.69 28.56 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 CA-C-O 121.136 0.493 . . . . 1.98 110.383 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -115.77 172.82 6.89 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.034 -1.042 . . . . 2.96 109.574 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 m -115.05 60.65 0.69 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.207 -0.933 . . . . 2.04 109.669 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.676 ' OH ' HG21 ' A' ' 36' ' ' THR . 23.2 m-85 -52.98 -176.12 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.155 -0.966 . . . . 1.29 109.927 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.86 -140.69 3.14 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 108.991 -1.644 . . . . 0.5 108.991 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -53.72 125.29 17.84 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -1.225 . . . . 3.0099999999999998 109.072 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.642 HD12 HG22 ' A' ' 25' ' ' VAL . 37.0 mt -107.99 62.95 0.61 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.165 -0.96 . . . . 0.29999999999999999 110.315 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -48.35 107.5 0.13 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.053 -1.029 . . . . 2.0499999999999998 109.305 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.88 ' HA ' HG12 ' A' ' 64' ' ' VAL . . . -64.33 136.91 57.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.131 -0.981 . . . . 0.41999999999999998 109.967 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' HG3' ' A' ' 49' ' ' GLN . 13.5 t -115.14 -44.17 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.338 -0.851 . . . . 0.28000000000000003 108.955 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' HG3' HG12 ' A' ' 48' ' ' VAL . 70.0 mt-30 -142.66 172.78 12.22 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.61 -0.885 . . . . 2.23 108.61 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 61' ' ' TYR . 13.8 p90 -174.1 134.78 0.45 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.81 -1.181 . . . . 1.3999999999999999 110.963 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 61' ' ' TYR . 5.5 mttp -107.86 137.97 44.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.479 -0.763 . . . . 1.49 108.98 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -84.65 -172.73 4.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.926 -1.109 . . . . 0.88 109.245 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.594 ' HG3' ' CE2' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -161.84 -173.86 3.91 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -0.932 . . . . 1.8300000000000001 109.196 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.893 ' O ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -158.8 154.19 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.07 -1.019 . . . . 0.90000000000000002 109.911 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.893 HG13 ' O ' ' A' ' 54' ' ' VAL . 0.0 OUTLIER 172.42 -96.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.834 -1.173 . . . . 0.83999999999999997 107.834 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.583 ' HB3' ' HZ ' ' A' ' 100' ' ' PHE . . . -100.46 17.06 22.59 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.125 -1.065 . . . . 0.81999999999999995 108.125 178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.62 ' HA2' HD11 ' A' ' 102' A LEU . . . 169.97 -97.13 0.12 Allowed Glycine 0 N--CA 1.489 2.194 0 N-CA-C 108.533 -1.827 . . . . 0.57999999999999996 108.533 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 57' ' ' GLY . 22.0 m -167.51 97.98 0.49 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.199 -1.177 . . . . 0.44 109.952 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.568 ' ND2' HG21 ' A' ' 55' ' ' VAL . 70.5 m-20 -66.91 -167.8 0.06 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.224 -0.922 . . . . 0.67000000000000004 109.03 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' O ' ' CD1' ' A' ' 61' ' ' TYR . 40.0 m-85 -148.94 165.84 30.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.883 -1.135 . . . . 1.21 111.123 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.889 ' HB3' HD22 ' A' ' 122' ' ' LEU . 14.4 m-85 -148.81 123.11 9.6 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 106.09 -1.819 . . . . 1.3400000000000001 106.09 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.763 HG22 HG13 ' A' ' 64' ' ' VAL . 55.3 mt -142.96 132.23 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 120.338 -1.476 . . . . 0.23999999999999999 111.24 -177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HB2' ' CD2' ' A' ' 96' ' ' HIS . 3.1 ttpp -103.21 73.81 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.918 -1.142 . . . . 2.7999999999999998 107.918 178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.894 HG11 HG11 ' A' ' 25' ' ' VAL . 4.3 m -82.32 148.56 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 121.391 -0.818 . . . . 0.96999999999999997 110.794 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 94' ' ' TYR . 1.9 mtm180 -81.49 135.52 35.61 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.637 -0.875 . . . . 2.5099999999999998 108.637 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.27 67.92 9.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.094 -1.004 . . . . 0.40999999999999998 109.934 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.98 -85.52 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.058 -1.217 . . . . 0.63 110.058 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 68' ' ' ASP . 1.6 m-20 -68.48 -164.98 0.05 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -1.106 . . . . 2.54 110.056 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -60.33 -18.66 51.36 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.439 -0.788 . . . . 2.29 110.061 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -57.89 167.33 1.2 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.172 -0.955 . . . . 2.27 109.545 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 65' ' ' ARG . 7.6 m-85 -135.85 -168.67 2.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.275 -0.89 . . . . 1.26 109.228 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.569 ' SD ' ' CZ ' ' A' ' 40' ' ' TYR . 11.2 ttp 179.36 101.82 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.076 -1.015 . . . . 1.47 109.961 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.485 ' CD2' ' HB2' ' A' ' 63' ' ' LYS . 6.8 m170 -55.84 -177.0 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.151 -0.968 . . . . 0.25 108.831 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.074 HD21 HG21 ' A' ' 28' ' ' VAL . 12.8 tp -163.39 155.39 17.65 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.888 -1.132 . . . . 1.45 110.31 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 125' ' ' PHE . 57.6 tttt -145.54 121.3 10.54 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.565 -0.902 . . . . 2.0600000000000001 108.565 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.519 HG11 ' HB3' ' A' ' 108' ' ' LEU . 14.6 t -133.94 156.75 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.195 -0.941 . . . . 0.25 110.051 -179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.583 ' HZ ' ' HB3' ' A' ' 56' ' ' ALA . 1.3 t80 -114.73 135.66 53.92 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.927 -0.768 . . . . 1.23 108.927 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 5.2 tttt -116.74 126.83 53.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.821 -1.174 . . . . 2.02 110.795 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.6 m -82.76 123.17 29.07 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.151 -1.055 . . . . 2.04 108.151 178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' A LEU . . . . . 0.708 HD12 ' HD3' ' A' ' 103' ' ' PRO . 0.1 OUTLIER -66.56 -50.36 46.93 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 120.825 -1.172 . . . . 2.7400000000000002 108.441 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.708 ' HD3' HD12 ' A' ' 102' A LEU . 36.5 Cg_endo -81.92 173.65 10.91 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 122.378 2.052 . . . . 4.4900000000000002 110.105 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 101.93 157.59 26.38 Favored Glycine 0 N--CA 1.491 2.364 0 C-N-CA 119.751 -1.214 . . . . 5.2800000000000002 110.667 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 106' ' ' GLU . 3.5 mp0 -88.82 -135.46 0.1 Allowed 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.515 -0.991 . . . . 7.7400000000000002 109.076 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' A ASN . . . . . . . . . . . . . 62.9 t-20 -52.67 89.82 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.184 -0.948 . . . . 6.5300000000000002 109.326 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -79.49 -179.82 7.04 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.417 -0.802 . . . . 6.2999999999999998 110.023 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 108' ' ' LEU . 0.8 OUTLIER -144.23 86.45 1.84 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.312 -0.867 . . . . 3.0699999999999998 108.843 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' A' ' 99' ' ' VAL . 7.4 mp -34.35 121.46 0.48 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-O 121.45 0.643 . . . . 0.64000000000000001 110.545 -179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.512 HG22 ' N ' ' A' ' 110' ' ' LEU . 7.2 p -90.53 160.79 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.406 -0.809 . . . . 0.28000000000000003 109.683 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 1.003 HD21 ' CD2' ' A' ' 113' ' ' TYR . 23.2 tp -94.83 83.99 4.11 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 0.25 108.877 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.411 ' OG1' ' HG2' ' A' ' 98' ' ' LYS . 0.7 OUTLIER -55.43 -37.97 68.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 0.45000000000000001 110.434 -179.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 113' ' ' TYR . . . -167.69 -170.29 32.29 Favored Glycine 0 N--CA 1.492 2.431 0 C-N-CA 119.481 -1.342 . . . . 0.34000000000000002 110.354 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 1.003 ' CD2' HD21 ' A' ' 110' ' ' LEU . 26.0 p90 173.51 136.59 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.424 -1.045 . . . . 1.1899999999999999 109.382 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.497 ' NE2' ' CD1' ' A' ' 125' ' ' PHE . 4.6 mm-40 -97.37 95.58 7.78 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.051 -1.031 . . . . 1.3400000000000001 109.221 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.658 HG23 ' OH ' ' A' ' 40' ' ' TYR . 9.9 p -63.98 165.18 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.312 -0.868 . . . . 0.51000000000000001 110.091 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' A ASP . . . . . 0.484 ' N ' HG22 ' A' ' 115' ' ' VAL . 6.8 t0 42.29 55.94 3.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.468 -0.77 . . . . 1.23 110.203 179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.492 ' HD3' ' CB ' ' A' ' 114' ' ' GLN . 0.1 OUTLIER -110.21 162.26 14.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.104 -0.997 . . . . 4.04 109.006 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.81 -167.43 1.43 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.161 -0.962 . . . . 1.8799999999999999 109.779 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.469 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -85.63 -24.8 26.96 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.463 -0.773 . . . . 3.02 109.395 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -74.5 -11.93 60.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.13 -0.982 . . . . 2.3199999999999998 109.148 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.41 ' O ' ' CE1' ' A' ' 96' ' ' HIS . 25.6 t70 -88.56 114.27 25.0 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.383 -0.823 . . . . 1.78 109.11 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.685 ' O ' HG23 ' A' ' 123' ' ' THR . 10.6 tt0 -87.03 145.2 26.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.249 -0.907 . . . . 2.54 109.829 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.889 HD22 ' HB3' ' A' ' 61' ' ' TYR . 1.1 mt -59.27 -48.35 81.96 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.399 -0.813 . . . . 1.3700000000000001 109.508 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 121' ' ' GLU . 0.1 OUTLIER 47.74 -168.55 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.289 -0.882 . . . . 1.6100000000000001 108.972 -179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.453 ' N ' ' OG1' ' A' ' 123' ' ' THR . . . -72.86 94.77 0.69 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.308 -1.517 . . . . 1.8600000000000001 109.308 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' A' ' 125' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.179 -1.189 . . . . 2.1499999999999999 109.417 -179.846 . . . . . . . . 2 2 . 1 stop_ save_