data_6yel_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6yel _Structure_validation_residue.Date_analyzed 2020-08-28 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.785 0.326 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.1 2.87 53.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 -37.27 64.51 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -44.51 93.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -74.79 -40.11 61.33 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -57.85 -50.13 74.36 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.379 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.1 ptp -67.44 -36.69 81.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.865 0.757 . . . . 0.0 111.961 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -64.5 -45.51 86.98 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.784 -0.767 . . . . 0.0 110.109 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -65.13 -49.8 68.49 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.402 ' HA ' ' HB2' ' A' ' 76' ' ' ARG . 28.0 ttt -55.07 -49.89 70.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 tpt -64.88 -49.22 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.492 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -63.67 -50.72 68.13 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.325 0.583 . . . . 0.0 111.79 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.09 -26.97 59.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.12 -30.73 55.35 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.239 1.381 . . . . 0.0 111.754 175.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.96 -40.46 96.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.31 97.2 Favored Glycine 0 C--O 1.212 -1.248 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.964 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.8 -42.56 97.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.367 1.083 . . . . 0.0 109.784 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -64.28 -38.33 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -68.15 -20.68 64.91 Favored 'General case' 0 C--O 1.209 -1.038 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.724 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.44 -33.66 60.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.973 0.806 . . . . 0.0 109.055 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.65 -44.15 82.66 Favored 'General case' 0 C--O 1.286 2.991 0 CA-C-O 124.089 1.9 . . . . 0.0 107.764 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -57.75 -39.98 78.63 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 112.37 -2.195 . . . . 0.0 107.089 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -65.04 -36.18 83.52 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.168 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.32 -56.12 21.67 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -70.27 -34.39 72.74 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -69.34 -37.4 77.67 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -51.65 67.59 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.07 80.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 116.62 -2.032 . . . . 0.0 112.223 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.83 -39.05 90.46 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.49 -38.43 87.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.037 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.35 -41.64 96.65 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.96 -40.82 81.52 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.299 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.067 0.848 . . . . 0.0 112.755 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.45 71.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -79.53 -62.77 1.59 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.889 170.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -47.64 -44.6 27.05 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.0 -46.47 6.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.39 -30.55 12.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -167.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.3 mmt-85 62.92 61.89 1.09 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.35 0.66 . . . . 0.0 111.034 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.38 140.47 3.07 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.998 0.428 . . . . 0.0 111.477 172.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.94 -13.96 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 19.7 pt-20 -113.45 22.77 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -43.8 -39.37 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.79 -21.91 66.03 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 48' ' ' GLU . 41.8 mtmt -114.54 -22.18 9.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.66 -15.24 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -109.16 -124.38 0.26 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 mt 61.72 168.43 0.11 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.547 1.165 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -55.41 -36.22 66.21 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.151 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.96 -59.08 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -35.56 51.55 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 118.844 -1.142 . . . . 0.0 110.898 -175.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.35 -45.8 89.53 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.541 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.64 -37.97 88.05 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.708 -0.62 . . . . 0.0 110.312 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.05 -46.71 80.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.947 -0.701 . . . . 0.0 112.071 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -67.59 -43.65 80.02 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.695 -0.628 . . . . 0.0 110.895 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 pt -70.71 -17.47 20.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 C-N-CA 118.608 -1.237 . . . . 0.0 110.963 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.98 -36.61 48.73 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.74 -48.08 78.47 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.29 -27.04 67.62 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.299 0.571 . . . . 0.0 110.658 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -71.2 -32.36 68.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.043 -1.036 . . . . 0.0 110.008 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -66.44 -46.9 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -52.17 -51.3 58.89 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.937 0.399 . . . . 0.0 111.098 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.9 -41.57 98.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.03 -31.16 64.27 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.532 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.29 -36.67 82.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -64.79 -45.63 85.52 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.664 0.745 . . . . 0.0 110.1 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.67 -41.95 96.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.621 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.19 -43.14 58.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -63.99 -21.23 66.41 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 122.473 -0.142 . . . . 0.0 111.232 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -66.28 -16.1 63.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.95 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.08 80.26 1.4 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 116.97 1.548 . . . . 0.0 116.97 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -73.2 -7.84 53.21 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 64.6 -163.28 0.26 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.06 155.61 40.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.248 0.547 . . . . 0.0 112.157 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.781 0.801 . . . . 0.0 112.906 178.117 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.202 -1.4 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.95 -60.7 2.76 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.73 -16.76 56.83 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.99 -37.68 88.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -71.81 -24.11 61.67 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.29 -36.58 79.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.94 -32.52 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.874 -0.516 . . . . 0.0 109.735 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.16 -33.29 67.61 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.865 -0.522 . . . . 0.0 110.117 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.27 -45.38 98.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -63.56 -25.78 68.4 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.651 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -77.64 -37.08 50.78 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.698 -0.627 . . . . 0.0 110.064 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.39 77.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.337 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -63.95 -36.23 83.28 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.682 -0.636 . . . . 0.0 110.952 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -65.27 -43.02 92.6 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.92 88.02 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.071 0.462 . . . . 0.0 111.356 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -61.72 -39.68 92.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.906 -0.496 . . . . 0.0 110.223 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -67.35 -36.14 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.127 -0.358 . . . . 0.0 110.355 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.57 -50.89 69.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.98 -42.6 85.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.63 -49.11 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -64.69 -32.2 73.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -75.25 -21.98 58.19 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -102.38 -7.64 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -68.42 -23.57 64.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 121.781 0.801 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -98.36 12.19 35.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.321 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -53.55 -42.37 67.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -79.89 -34.07 39.43 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.8 -0.562 . . . . 0.0 109.798 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.0 -48.09 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.8 ptp -69.08 -33.8 74.11 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.55 -45.35 90.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -58.18 9.54 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -48.76 -50.03 35.73 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.82 -39.14 90.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.661 -0.649 . . . . 0.0 112.087 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.33 -39.55 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.55 -22.87 43.28 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.899 -0.721 . . . . 0.0 112.017 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.0 98.19 Favored Glycine 0 C--O 1.208 -1.511 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.73 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.55 -40.48 97.1 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.695 1.248 . . . . 0.0 109.86 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -64.34 -34.58 78.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.05 -20.71 61.63 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 121.776 -0.578 . . . . 0.0 111.542 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.45 -33.17 62.86 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -65.3 -40.27 93.58 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 123.374 1.559 . . . . 0.0 107.164 173.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -65.62 -26.2 67.72 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.242 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -75.87 -34.19 60.02 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 120.661 1.573 . . . . 0.0 110.916 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.13 -56.59 18.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 103.226 -2.879 . . . . 0.0 103.226 170.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -67.39 -35.52 79.48 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -172.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.94 -37.01 78.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.91 -55.12 32.9 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -38.09 88.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 116.9 -1.92 . . . . 0.0 112.697 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.688 -0.633 . . . . 0.0 112.46 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.2 -29.88 66.85 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.31 -0.869 . . . . 0.0 109.764 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.09 -45.15 78.13 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -57.29 -45.51 84.06 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.34 -39.06 91.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.594 0.235 . . . . 0.0 110.89 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.62 77.57 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -73.82 -60.67 2.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 116.927 -1.909 . . . . 0.0 109.078 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.35 -44.48 44.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -96.1 -44.27 7.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -100.53 -3.32 30.93 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -169.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 70.58 -38.58 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p 68.51 145.25 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.632 1.973 . . . . 0.0 113.62 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.22 -21.64 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.35 42.26 1.1 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -51.5 136.38 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 64.39 -4.67 0.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.8 3.91 6.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.967 0.507 . . . . 0.0 112.012 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -38.51 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 -170.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -148.63 -60.99 0.24 Allowed 'General case' 0 C--O 1.241 0.611 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.5 mt 57.41 -173.93 0.08 Allowed 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.819 0.819 . . . . 0.0 109.337 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.04 -42.7 80.97 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.53 -50.45 72.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -78.69 -30.47 46.13 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.081 -1.048 . . . . 0.0 109.747 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.99 -48.73 80.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.18 -40.71 86.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.221 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.37 -36.17 58.28 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.65 -44.24 82.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 pt -74.3 -18.69 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.491 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -69.49 -42.48 74.71 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.25 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.53 70.81 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.985 0.898 . . . . 0.0 111.194 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -73.99 -24.51 59.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.75 -1.219 . . . . 0.0 111.44 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -71.48 -46.87 58.7 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -52.3 -50.65 61.77 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.43 79.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.89 92.86 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.841 0.829 . . . . 0.0 108.936 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -62.53 -36.9 84.05 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.592 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.92 -31.32 67.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.22 -0.3 . . . . 0.0 110.697 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -67.02 -46.17 75.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -63.53 -39.86 95.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.38 -45.76 92.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -33.25 69.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.285 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -79.33 1.78 23.88 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.11 -0.636 . . . . 0.0 112.022 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.5 170.57 54.49 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-O 121.76 0.644 . . . . 0.0 111.901 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 t -134.36 -169.06 2.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.755 -0.85 . . . . 0.0 108.811 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 126.01 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.257 0.223 . . . . 0.0 111.333 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.15 143.58 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.552 1.541 . . . . 0.0 114.317 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.773 0.796 . . . . 0.0 109.244 172.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 C--O 1.212 -0.913 0 N-CA-C 110.588 -0.152 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -54.57 43.11 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.594 0.712 . . . . 0.0 109.785 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.49 -36.02 73.58 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.71 -22.58 64.34 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.5 tp -72.5 -34.69 67.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -73.34 -24.85 60.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.305 -0.872 . . . . 0.0 108.934 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -73.68 -26.11 60.57 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.006 -1.059 . . . . 0.0 110.005 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.1 -40.42 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -58.95 -38.58 79.36 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.81 -36.35 75.57 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.18 78.58 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.5 -38.53 91.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.992 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -64.86 -34.22 77.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.732 -0.605 . . . . 0.0 110.831 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -68.11 -40.52 82.53 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.58 89.58 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.772 0.796 . . . . 0.0 110.174 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.71 -43.22 94.2 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.093 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -41.06 95.46 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.12 -0.363 . . . . 0.0 110.543 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.95 -51.62 63.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.94 -42.95 99.2 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.771 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.19 -42.65 95.49 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -66.49 -31.15 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.02 -20.76 51.9 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.0 p -100.86 -4.86 27.02 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -63.93 -27.62 69.27 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.65 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.883 0.373 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.96 6.14 49.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 p -45.51 -44.8 12.87 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 10.5 pttp -47.91 -71.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 57.6 mm-40 -81.01 -22.86 39.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.756 -174.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.494 ' CG ' ' HG1' ' A' ' 79' ' ' THR . 0.9 OUTLIER -64.39 -48.69 74.48 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.6 -36.63 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.777 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.71 -38.17 90.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.01 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.95 -40.67 68.53 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.969 -0.457 . . . . 0.0 109.822 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.41 -40.37 82.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.8 ttt -62.72 -47.97 81.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.714 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -56.16 -51.73 66.92 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.41 0.55 . . . . 0.0 111.162 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -65.24 -38.55 90.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.752 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.9 mt -84.85 -25.24 28.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.28 -36.02 81.9 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.93 -37.46 87.98 Favored Glycine 0 C--O 1.215 -1.051 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.057 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.06 -39.75 95.67 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.266 1.033 . . . . 0.0 108.753 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -66.41 -35.71 80.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.53 -31.46 72.63 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.405 -0.81 . . . . 0.0 110.305 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.858 0.754 . . . . 0.0 110.127 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.56 -46.03 81.04 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 123.613 1.673 . . . . 0.0 107.042 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -64.58 -18.8 65.21 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.733 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -82.02 -34.12 29.73 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 119.562 1.074 . . . . 0.0 109.436 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -46.98 84.6 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 172.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -67.45 -36.71 81.73 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.99 -1.084 . . . . 0.0 113.571 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.27 -40.9 96.93 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.97 -53.11 61.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.941 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -41.46 79.6 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.647 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.53 -44.09 79.19 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 121.128 -0.982 . . . . 0.0 112.291 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -71.7 -31.17 66.45 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.42 -45.91 85.5 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.64 -48.0 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -62.56 -44.58 95.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.275 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.06 76.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.088 0.471 . . . . 0.0 110.07 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.18 2.95 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 118.459 -1.296 . . . . 0.0 108.324 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.48 -37.14 72.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -171.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -90.8 -46.09 8.43 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.438 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -98.2 -37.95 9.49 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 40.05 63.82 1.0 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -58.05 166.08 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.649 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.04 -23.38 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.7 -14.87 63.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -41.82 -35.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -171.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -55.97 -34.7 65.96 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.213 -0.304 . . . . 0.0 111.729 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -137.47 19.14 2.91 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.44 -15.97 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -134.49 -121.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.009 -0.432 . . . . 0.0 109.903 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.3 mt 62.06 177.37 0.13 Allowed 'General case' 0 C--O 1.244 0.781 0 CA-C-O 122.295 1.045 . . . . 0.0 110.853 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.32 -38.47 63.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.116 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -65.2 -54.9 22.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -30.21 66.36 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.972 -177.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -51.12 71.32 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 122.052 0.929 . . . . 0.0 109.432 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.34 -36.29 83.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.239 -0.913 . . . . 0.0 111.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.07 -38.91 72.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.41 -42.79 64.73 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.69 -31.26 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 174.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.41 -32.44 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.881 -1.137 . . . . 0.0 110.62 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.59 -45.26 72.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.34 75.25 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.834 0.826 . . . . 0.0 110.138 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -64.47 -34.69 78.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.772 -0.58 . . . . 0.0 110.679 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -66.28 -48.61 69.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.94 -48.86 72.61 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.576 0.703 . . . . 0.0 110.232 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.97 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -43.1 97.14 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.676 -0.64 . . . . 0.0 109.517 178.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -60.52 -38.59 84.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.11 -31.18 65.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.16 -0.337 . . . . 0.0 111.731 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.9 -41.85 74.16 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.991 -0.443 . . . . 0.0 110.046 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -63.31 -40.7 98.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.37 -45.84 92.69 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.343 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -41.47 78.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.932 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.34 -5.16 30.42 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.55 -160.56 13.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.494 ' HG1' ' CG ' ' A' ' 12' ' ' HIS . 15.2 t -155.38 -163.38 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.36 1.62 1.07 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -149.03 166.27 29.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 122.883 1.325 . . . . 0.0 110.672 178.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 C--O 1.212 -0.897 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.78 76.25 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.917 -0.489 . . . . 0.0 111.22 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.69 -17.63 61.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.417 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.97 -29.84 65.95 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.17 -32.79 74.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -40.27 83.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.006 0.432 . . . . 0.0 110.041 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.86 -34.96 78.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -76.93 -17.27 59.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.85 -42.4 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.0 -39.33 89.29 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.13 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.28 -44.31 83.93 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.047 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.37 76.28 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.07 -45.92 89.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -64.11 -33.72 76.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.955 -0.466 . . . . 0.0 111.406 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -67.43 -38.47 84.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.07 81.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.31 -49.12 77.13 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.08 -32.28 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.503 . . . . 0.0 111.834 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.61 -42.73 77.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.37 -34.95 79.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.7 -49.55 77.17 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -61.89 -31.02 71.27 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -78.04 -16.94 57.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 p -108.95 1.63 20.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 m -70.71 13.69 0.17 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.905 1.816 . . . . 0.0 115.905 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.13 -20.02 38.87 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -57.54 -33.78 68.47 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -55.84 -56.39 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.027 0.441 . . . . 0.0 111.505 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -79.29 -37.62 37.31 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.462 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.0 -53.74 51.96 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.9 mmm -67.68 -41.82 83.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.551 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -62.98 -47.83 81.46 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.39 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.66 -49.77 61.17 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.5 ttp -56.97 -38.94 73.71 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.07 -48.07 81.86 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.952 -0.467 . . . . 0.0 110.801 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -72.04 -33.74 68.24 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.075 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.22 -28.15 66.99 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -83.74 -23.23 31.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.71 -0.619 . . . . 0.0 112.348 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.87 -41.33 97.78 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.65 82.13 Favored Glycine 0 C--O 1.209 -1.432 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.585 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.77 -37.92 87.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.827 1.314 . . . . 0.0 109.168 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -67.69 -37.73 82.72 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -60.8 -30.89 70.33 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.351 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.57 64.11 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.687 -0.633 . . . . 0.0 110.635 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.55 -44.4 74.59 Favored 'General case' 0 C--O 1.268 2.078 0 CA-C-O 124.311 2.005 . . . . 0.0 106.966 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.02 -19.34 65.82 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.171 -1.832 . . . . 0.0 109.211 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -83.54 -26.6 29.98 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 119.723 1.147 . . . . 0.0 109.545 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -59.75 -55.85 29.1 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 101.519 -3.512 . . . . 0.0 101.519 170.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.85 -41.3 87.61 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -173.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.12 -38.31 85.9 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.29 -41.81 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.043 -0.979 . . . . 0.0 111.54 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -39.88 88.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 117.2 -1.8 . . . . 0.0 110.832 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.8 -35.25 80.5 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.642 -1.223 . . . . 0.0 109.646 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.73 -44.18 94.3 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.72 -48.8 79.92 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -57.35 -51.97 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.648 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.76 -29.58 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.96 92.9 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -69.16 -60.12 2.56 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 117.763 -1.575 . . . . 0.0 108.031 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -48.3 -42.52 31.19 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -95.98 -46.39 6.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -99.63 -38.01 8.9 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -167.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 33.85 49.82 0.29 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -60.9 176.42 0.4 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 115.073 1.508 . . . . 0.0 115.073 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.55 -12.68 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.114 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.57 13.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.752 -0.592 . . . . 0.0 111.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -48.87 -33.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -22.1 66.59 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.981 -0.449 . . . . 0.0 111.842 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -105.61 -25.36 12.3 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.403 0.681 . . . . 0.0 111.112 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 50.2 t -65.05 -13.55 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.403 0.681 . . . . 0.0 111.477 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -49.18 123.9 8.08 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -49.92 -52.79 30.54 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -60.71 -43.96 97.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.356 0.598 . . . . 0.0 110.852 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.5 -48.94 70.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.368 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -44.4 90.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.644 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.97 -48.3 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -56.53 -49.99 73.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.297 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -39.75 74.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.4 -44.8 67.22 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.878 -0.514 . . . . 0.0 111.412 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.1 pt -74.52 -17.57 16.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.981 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -74.6 -33.82 62.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.61 -47.16 70.47 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.31 -30.69 70.65 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.539 0.685 . . . . 0.0 110.042 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -66.35 -32.22 73.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.342 -0.849 . . . . 0.0 110.766 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -47.92 67.63 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -53.82 -49.94 67.27 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 110.601 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.27 89.71 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -62.93 -42.09 99.69 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.11 -44.4 96.73 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.03 -24.88 65.14 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 122.191 -0.318 . . . . 0.0 110.682 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -73.17 -43.48 61.4 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -40.47 96.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.28 -40.67 94.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -19.2 46.83 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -58.43 -20.35 44.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.729 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.99 27.89 71.42 Favored Glycine 0 CA--C 1.508 -0.397 0 N-CA-C 117.408 1.723 . . . . 0.0 117.408 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -65.92 113.79 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.14 4.45 10.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -149.72 135.88 18.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.8 0.81 . . . . 0.0 111.254 177.219 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 C--O 1.212 -0.902 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.68 17.95 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.69 -16.81 60.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.949 -1.094 . . . . 0.0 109.717 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.43 -24.77 67.74 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 172.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.22 -23.45 62.02 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 120.807 -1.183 . . . . 0.0 109.942 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -77.47 -29.62 52.8 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.98 -40.21 91.02 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 173.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -33.95 77.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.847 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.04 -42.7 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -63.42 -35.23 79.72 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.068 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -72.48 -33.85 67.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.669 0.668 . . . . 0.0 110.58 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.68 87.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -39.65 95.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.181 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -65.07 -35.96 82.82 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.824 -0.548 . . . . 0.0 110.468 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.66 -45.25 94.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.66 98.43 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.942 0.401 . . . . 0.0 110.397 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.1 -41.97 99.48 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.46 0.647 . . . . 0.0 111.471 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -67.98 -32.45 72.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.555 0.693 . . . . 0.0 110.335 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.18 -36.29 74.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.68 -42.52 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -57.26 -49.84 74.77 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.0 p -65.18 -29.05 69.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.542 0.687 . . . . 0.0 112.163 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -11.25 59.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.136 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 p -128.06 12.09 6.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 m -66.8 -5.53 12.58 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 176.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 120.492 0.187 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.9 m-30 -86.98 -18.64 30.21 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.943 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -45.65 -36.95 5.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -172.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -63.0 1.28 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -82.84 -28.27 30.26 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -56.29 -51.51 67.92 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -40.56 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.722 -0.611 . . . . 0.0 111.434 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -61.19 -48.68 80.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.197 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -69.56 -42.6 74.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.05 -40.21 84.44 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttt -62.66 -51.65 66.41 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -39.76 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.086 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.18 -36.15 74.45 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.91 -0.494 . . . . 0.0 111.775 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.33 -26.32 38.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.55 -35.48 81.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.51 89.69 Favored Glycine 0 C--O 1.216 -1.019 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.1 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.05 -40.53 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.888 0.844 . . . . 0.0 109.244 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.56 -39.74 95.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -62.52 -28.87 70.15 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.638 -0.664 . . . . 0.0 110.498 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.56 68.03 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.915 0.779 . . . . 0.0 110.612 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.06 -41.73 85.96 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 124.052 1.882 . . . . 0.0 106.952 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.59 -18.13 65.2 Favored 'General case' 0 C--O 1.2 -1.502 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.834 175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -81.08 -35.57 31.55 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.271 0.942 . . . . 0.0 111.101 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -43.08 89.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -64.55 -36.79 85.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 118.851 -1.14 . . . . 0.0 113.589 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -46.07 91.03 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.36 -49.91 74.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.597 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -40.8 81.18 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.988 -1.485 . . . . 0.0 113.125 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -49.93 71.59 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 110.588 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -70.54 -27.18 63.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.736 -176.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -57.13 -43.82 82.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.46 -40.68 89.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.583 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.69 74.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.9 -61.88 1.72 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 117.445 -1.702 . . . . 0.0 107.305 172.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.88 -38.44 49.61 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -173.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -95.78 -46.5 6.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -101.11 -19.11 15.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -169.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 40.47 44.54 1.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.5 t -47.67 140.29 6.4 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' C ' ' H ' ' A' ' 49' ' ' VAL . 6.3 p -64.44 -6.72 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.053 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -71.75 6.42 1.98 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.59 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.465 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 12.9 p -47.68 -35.6 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.261 0.624 . . . . 0.0 112.662 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -22.57 67.02 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -101.69 -27.78 12.86 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 17.3 t -70.73 -13.13 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.083 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -41.35 123.8 2.2 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.753 1.263 . . . . 0.0 113.164 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -36.1 -58.28 0.67 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 119.85 3.278 . . . . 0.0 119.85 -166.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.82 -54.18 49.85 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 118.812 0.733 . . . . 0.0 112.729 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.81 -47.72 82.24 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -57.9 -50.02 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.307 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 mt -59.17 -49.31 78.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -60.92 -39.68 90.3 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.379 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -45.3 51.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.58 -44.03 75.25 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.743 0.783 . . . . 0.0 110.357 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.6 mt -63.12 -32.3 55.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -68.38 -32.25 72.19 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.057 -1.027 . . . . 0.0 111.653 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.09 -46.79 66.89 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.92 73.24 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.608 0.718 . . . . 0.0 110.989 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -63.72 -37.59 87.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.862 -0.524 . . . . 0.0 109.724 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.1 -46.78 75.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.204 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.07 -41.54 99.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.55 -37.87 87.84 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.203 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.89 -27.58 62.94 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.971 -0.456 . . . . 0.0 109.99 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.64 -46.39 47.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.07 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.31 -32.82 74.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.276 -0.89 . . . . 0.0 108.983 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.75 -49.81 74.91 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.544 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -13.67 62.23 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -98.08 -0.01 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.996 0.427 . . . . 0.0 110.72 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.19 17.34 19.45 Favored Glycine 0 CA--C 1.52 0.406 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.249 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 78.7 p -66.91 129.56 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 50.17 38.0 16.09 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.244 1.021 . . . . 0.0 109.943 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -117.25 -84.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.282 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.808 0.813 . . . . 0.0 113.097 -178.603 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 C--O 1.212 -0.895 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.94 -56.52 12.77 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.97 -22.44 64.1 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.613 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -63.65 -38.62 91.8 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 173.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.57 -25.57 67.48 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.503 -0.748 . . . . 0.0 110.109 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.02 -36.11 72.28 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 121.648 -0.658 . . . . 0.0 109.355 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.69 -41.19 98.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -69.2 -25.04 64.13 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.538 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.57 -40.37 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.2 ttm105 -60.02 -41.58 92.5 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.33 -31.07 69.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.275 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.71 -47.28 75.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.51 -40.64 97.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.484 0.659 . . . . 0.0 110.294 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.64 -38.6 85.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -67.24 -39.75 86.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.98 67.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.099 0.476 . . . . 0.0 110.7 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.18 -33.41 75.41 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -77.5 -23.98 50.17 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.926 -1.109 . . . . 0.0 111.731 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.25 -42.0 80.31 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -41.91 90.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.389 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -57.27 -50.93 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.9 p -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -77.97 -20.25 53.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.911 -0.493 . . . . 0.0 111.324 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -104.89 0.25 27.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.911 0.386 . . . . 0.0 111.857 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -73.02 9.85 1.08 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.7 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 . . . . . 0 C--O 1.222 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -86.88 -14.98 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.2 p -60.24 -27.49 67.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -61.66 -55.41 30.78 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.35 -27.57 34.87 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.362 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -62.27 -51.37 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 tpt -65.28 -38.95 91.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.46 -43.24 97.11 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.62 -47.11 76.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 82.9 mtp -55.69 -48.21 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.747 0.308 . . . . 0.0 110.279 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -63.12 -54.19 41.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.235 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -58.41 -46.68 85.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 0.0 111.699 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -74.64 -21.71 59.3 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.329 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.64 -29.43 36.74 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.149 -0.969 . . . . 0.0 111.73 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -65.25 -39.29 92.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.13 -40.11 97.78 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.308 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.32 -39.84 94.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.104 0.952 . . . . 0.0 108.848 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -66.42 -35.56 80.61 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.654 -0.654 . . . . 0.0 110.105 176.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -63.61 -33.39 75.51 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.97 83.81 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.493 -0.754 . . . . 0.0 110.794 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.97 -43.26 96.31 Favored 'General case' 0 C--O 1.276 2.483 0 CA-C-O 123.693 1.711 . . . . 0.0 108.652 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -58.22 -40.74 82.44 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.379 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.4 -30.4 69.31 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 119.115 0.87 . . . . 0.0 112.615 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.36 -60.58 3.56 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 173.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.14 -26.58 42.78 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -170.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.27 -29.8 57.58 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.5 -37.89 74.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.447 HE21 ' CG2' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.71 -57.5 10.61 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.526 173.173 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.04 -42.8 99.56 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.465 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -63.6 -41.49 98.31 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 122.082 -0.386 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.53 -46.48 85.83 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -59.95 -43.38 95.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.623 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -71.11 -35.96 71.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.636 0.653 . . . . 0.0 112.188 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.15 86.18 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -59.13 3.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.71 -1.196 . . . . 0.0 108.006 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -46.96 -45.05 20.57 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -95.99 -46.35 6.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -101.16 -22.52 14.66 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -168.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.23 54.09 0.99 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -41.53 156.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.56 -18.12 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.258 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -81.92 18.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.146 -0.346 . . . . 0.0 111.778 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -53.72 -33.55 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.11 -39.54 86.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -70.61 -35.87 73.2 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.25 -14.27 15.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -38.39 105.0 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.156 1.455 . . . . 0.0 114.458 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.1 mt -40.35 -51.11 2.82 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -164.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.52 -65.72 0.61 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.826 1.194 . . . . 0.0 112.158 -174.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -65.15 -42.41 93.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -57.93 -56.27 24.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.579 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.79 -37.32 87.2 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.809 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.11 -46.86 88.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.578 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.32 -35.14 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.031 0.443 . . . . 0.0 111.155 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -56.53 19.73 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 123.575 0.75 . . . . 0.0 109.907 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CG2' HE21 ' A' ' 34' ' ' GLN . 16.2 pt -68.32 -19.53 24.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.377 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -75.99 -32.77 59.61 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 119.295 0.952 . . . . 0.0 108.664 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.84 -45.89 66.82 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.48 77.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.741 0.781 . . . . 0.0 109.637 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.63 -32.88 74.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.901 0.48 . . . . 0.0 111.193 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -65.43 -50.71 64.4 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -53.26 -47.07 69.41 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.982 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.68 91.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.49 -41.76 98.55 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.85 -43.81 97.84 Favored 'General case' 0 C--O 1.206 -1.197 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.06 -33.57 76.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.393 . . . . 0.0 110.498 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -66.04 -43.77 86.56 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.925 -0.484 . . . . 0.0 110.347 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.31 -30.71 65.04 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.641 -0.662 . . . . 0.0 110.794 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -39.13 82.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -60.05 -36.85 78.23 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -79.75 5.44 13.47 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.81 179.37 45.73 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -148.02 -175.06 4.74 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.288 -1.125 . . . . 0.0 110.978 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.52 -21.44 60.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -135.16 120.01 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -177.595 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.198 -1.634 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.87 68.54 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.848 1.658 . . . . 0.0 111.994 -174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -68.57 -22.94 64.44 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.072 -1.017 . . . . 0.0 110.848 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.27 -36.05 71.58 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.31 -21.19 61.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.8 tp -74.22 -33.53 63.4 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -64.28 -39.01 93.07 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -71.07 -20.87 62.31 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.875 -0.516 . . . . 0.0 112.347 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -69.27 -42.04 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 171.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -63.83 -33.78 76.44 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.25 -46.8 79.11 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 117.965 0.348 . . . . 0.0 110.178 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.42 69.37 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.549 0.69 . . . . 0.0 109.249 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.69 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -64.42 -32.79 74.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.831 -0.543 . . . . 0.0 111.475 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -64.32 -44.78 90.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.91 91.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.68 0.752 . . . . 0.0 110.525 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.12 -49.18 78.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.932 -0.48 . . . . 0.0 110.719 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.81 -44.0 97.3 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.151 0.501 . . . . 0.0 110.503 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -58.37 -46.28 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.4 p -67.18 -27.07 66.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.841 -0.537 . . . . 0.0 112.063 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.47 -15.19 59.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.197 -0.314 . . . . 0.0 110.648 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 p -111.55 -14.37 13.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.7 m -60.49 -50.55 73.1 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 -174.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.117 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 121.594 0.711 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -87.01 12.16 11.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -57.62 -34.92 69.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -39.48 92.28 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.659 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.18 -29.73 26.37 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -57.9 -46.03 85.57 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.46 -43.24 81.53 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.606 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.75 -47.15 86.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -74.71 -30.14 61.43 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 ttp -59.91 -44.11 94.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.79 -49.38 76.58 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.506 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -59.46 -53.68 55.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.492 0.663 . . . . 0.0 111.943 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -88.15 -15.23 36.63 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -167.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -85.71 -30.68 22.95 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.207 -1.397 . . . . 0.0 108.798 170.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.27 -35.6 80.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.482 -2.414 . . . . 0.0 104.482 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.51 -37.79 94.89 Favored Glycine 0 C--O 1.213 -1.171 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.103 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.59 -41.39 96.27 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.157 0.978 . . . . 0.0 108.48 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.95 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -26.58 67.53 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.996 174.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.59 64.92 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -64.35 -45.1 89.28 Favored 'General case' 0 C--O 1.271 2.192 0 CA-C-O 124.286 1.993 . . . . 0.0 108.016 173.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -65.28 -18.75 65.56 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.483 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 p -77.17 -39.11 50.13 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 119.549 1.068 . . . . 0.0 108.972 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.12 -56.32 19.21 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 102.585 -3.117 . . . . 0.0 102.585 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -67.18 -35.35 79.46 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.3 -36.05 82.88 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.041 0.837 . . . . 0.0 109.09 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -49.9 65.15 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -36.6 84.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.055 -1.858 . . . . 0.0 111.622 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.37 -44.07 95.82 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.138 0.881 . . . . 0.0 111.078 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.769 -0.582 . . . . 0.0 109.937 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.8 -47.17 75.97 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -61.24 -42.42 98.59 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.83 -40.0 91.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.893 0.315 . . . . 0.0 111.032 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.07 97.4 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.41 -58.8 5.44 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 117.871 -1.532 . . . . 0.0 110.526 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -51.95 -44.06 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -172.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.7 -46.56 8.91 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.431 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.52 -38.08 8.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -172.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 28.95 54.56 0.1 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.431 1.082 . . . . 0.0 111.946 -176.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -77.13 -128.73 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.386 -171.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.6 m -60.88 -13.43 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 120.61 -1.306 . . . . 0.0 109.609 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.07 -33.72 72.45 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.645 1.178 . . . . 0.0 112.204 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.07 -25.46 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.502 0.592 . . . . 0.0 111.572 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -97.65 -8.15 29.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.251 -0.281 . . . . 0.0 111.592 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -135.23 1.67 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -50.62 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.208 0.913 . . . . 0.0 113.201 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.6 m80 49.68 53.03 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -39.72 -44.98 1.64 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.15 -48.38 78.69 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.471 -0.768 . . . . 0.0 110.005 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.65 -43.98 97.43 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -58.91 -56.48 21.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.689 0.618 . . . . 0.0 111.369 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.33 -47.37 85.64 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.43 -32.4 74.01 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 119.82 -0.752 . . . . 0.0 112.035 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.66 -46.59 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 119.099 0.863 . . . . 0.0 111.802 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -62.61 -43.88 97.69 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.7 pt -73.24 -17.64 17.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 120.857 -1.152 . . . . 0.0 113.637 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -73.45 -35.57 65.76 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.91 -43.57 74.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.66 73.95 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.803 0.811 . . . . 0.0 109.994 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.58 -30.71 71.74 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 121.589 -0.695 . . . . 0.0 110.373 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -70.59 -46.37 63.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.77 -53.11 56.91 Favored 'General case' 0 C--O 1.25 1.094 0 CA-C-O 121.517 0.675 . . . . 0.0 110.269 172.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.26 -38.3 76.67 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -64.3 -38.52 91.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.977 -0.452 . . . . 0.0 110.099 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -69.47 -39.32 77.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.46 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.07 -38.45 91.1 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.027 0.918 . . . . 0.0 108.806 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -65.66 -47.96 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.221 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.89 -31.5 72.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.901 -0.499 . . . . 0.0 110.121 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.52 -43.67 89.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -59.95 -30.52 69.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -79.18 -5.62 54.66 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 122.004 -0.435 . . . . 0.0 111.156 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.11 -156.55 10.31 Favored Glycine 0 CA--C 1.521 0.419 0 CA-C-O 121.827 0.681 . . . . 0.0 113.577 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -165.35 -167.19 1.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.17 4.51 0.33 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -82.08 84.66 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 CA--C 1.546 0.81 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.359 178.446 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.61 -56.84 12.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.806 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.82 -16.84 59.32 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.752 -1.218 . . . . 0.0 109.994 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.66 -19.87 43.16 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.76 -51.93 67.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.97 -41.33 97.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.822 0.344 . . . . 0.0 110.216 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.64 -39.32 91.31 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.263 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.02 -34.31 64.08 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.611 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.15 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -56.45 -50.17 72.48 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.35 -27.92 59.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.35 -55.22 22.63 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.55 -43.22 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.991 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -62.85 -38.82 92.34 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -64.32 -46.7 82.41 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.62 80.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.509 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.15 -48.4 78.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.174 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -62.84 -40.58 97.87 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.55 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.49 -50.22 64.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.59 -43.52 97.29 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.44 -53.19 61.1 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -57.45 -43.42 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.41 -20.69 50.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.534 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 -7.17 54.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.8 m -67.06 -24.08 65.94 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 120.707 0.289 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -86.98 -6.3 58.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -56.55 -32.62 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -59.39 -56.44 22.05 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -77.34 -32.76 55.36 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.966 -0.459 . . . . 0.0 109.824 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -58.92 -49.0 79.48 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 117.972 0.351 . . . . 0.0 110.099 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.9 mmm -69.31 -38.56 78.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.772 -0.58 . . . . 0.0 110.858 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.81 -43.57 98.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.72 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.76 -46.41 78.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.558 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 10.6 ttt -55.8 -46.09 78.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.932 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtm -66.06 -42.24 89.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.065 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.09 -42.32 94.18 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.123 0.487 . . . . 0.0 111.362 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.04 -24.35 43.66 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.2 mt -79.4 -27.07 41.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.262 -0.899 . . . . 0.0 110.669 174.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.23 -44.88 95.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 170.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -38.97 95.69 Favored Glycine 0 C--O 1.209 -1.418 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.361 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.38 -41.86 93.31 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.406 1.103 . . . . 0.0 110.22 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.46 -35.25 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.31 -20.57 60.77 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.31 65.81 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.65 -41.36 88.37 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 123.4 1.571 . . . . 0.0 107.039 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -60.08 -34.75 73.88 Favored 'General case' 0 C--O 1.192 -1.956 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.553 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 p -68.6 -41.74 79.14 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 120.086 1.312 . . . . 0.0 112.115 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -50.71 72.78 Favored 'General case' 0 C--O 1.269 2.09 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -69.42 -29.39 67.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 117.434 -1.706 . . . . 0.0 115.319 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -70.08 -34.8 73.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.64 -47.9 83.29 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -34.4 69.09 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 116.747 -1.981 . . . . 0.0 114.379 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.34 -43.23 91.56 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.868 -1.145 . . . . 0.0 109.148 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.67 -19.8 62.03 Favored 'General case' 0 C--O 1.199 -1.595 0 O-C-N 121.48 -0.762 . . . . 0.0 109.698 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 1.7 tp -69.15 -44.77 71.63 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-N 119.68 1.127 . . . . 0.0 108.196 169.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -43.91 76.73 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.9 -36.17 72.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.9 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -83.19 -63.83 1.28 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 115.197 -2.601 . . . . 0.0 109.084 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -60.41 -40.65 91.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -96.02 -36.49 11.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.506 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -96.79 -37.67 10.18 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.694 2.479 . . . . 0.0 117.694 -170.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 46.73 54.96 8.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.519 0.676 . . . . 0.0 111.917 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -62.83 169.96 2.91 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.416 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 m -57.67 -26.34 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.06 19.44 18.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.9 -27.71 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.58 -29.41 70.01 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.236 0.541 . . . . 0.0 111.822 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -149.1 34.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -53.4 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 16.6 m170 -124.16 -60.19 1.44 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 111.294 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tp 61.29 -179.55 0.11 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.143 -174.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.35 80.1 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.194 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.326 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.299 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.24 -46.7 85.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.225 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -59.46 -39.73 84.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.887 -0.508 . . . . 0.0 110.026 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -72.66 -41.52 65.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.22 -41.26 77.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 109.814 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.1 pt -73.31 -17.61 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 118.341 -1.343 . . . . 0.0 110.209 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.37 -30.67 57.66 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 171.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.5 tp -67.63 -43.79 79.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 173.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.42 87.42 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.822 0.82 . . . . 0.0 110.528 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -65.4 -31.04 71.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.067 -1.021 . . . . 0.0 109.698 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -48.69 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -51.94 -45.06 64.19 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 122.362 -0.212 . . . . 0.0 110.722 171.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.07 86.8 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.84 -42.78 99.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.56 88.39 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -74.32 -24.09 59.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.984 -0.448 . . . . 0.0 111.31 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -43.94 63.95 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -63.05 -42.0 99.6 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.43 -42.99 95.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.538 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -16.86 63.57 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.559 -0.713 . . . . 0.0 110.931 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -97.75 7.49 46.31 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.086 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.01 152.56 50.31 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-O 122.227 0.904 . . . . 0.0 114.397 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 p -85.53 167.17 15.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -60.33 -29.72 69.06 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.468 0.651 . . . . 0.0 111.024 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 128.6 22.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.552 1.052 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -176.512 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 10.7 p90 . . . . . 0 C--O 1.206 -1.234 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.71 -56.43 9.31 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 119.272 0.942 . . . . 0.0 110.632 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -71.69 -18.01 62.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.91 -1.119 . . . . 0.0 108.812 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.72 -30.52 69.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.12 -26.65 67.55 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.3 tp -73.89 -35.24 64.67 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.335 -0.853 . . . . 0.0 109.635 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.69 -38.23 90.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.79 -31.52 69.49 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.436 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.18 -45.59 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -59.79 -42.11 92.67 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.72 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -71.75 -29.14 64.19 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.877 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.77 66.02 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -42.11 98.6 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.182 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -63.99 -34.53 78.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.21 0.529 . . . . 0.0 111.744 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -65.77 -42.56 90.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.79 98.63 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 123.28 0.362 . . . . 0.0 110.168 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.87 -50.84 69.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.517 0.675 . . . . 0.0 111.18 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.15 -53.81 50.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.14 -35.23 76.52 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.9 -50.9 71.53 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -60.49 -36.17 77.69 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -78.09 -20.59 51.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.294 0.568 . . . . 0.0 110.072 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.4 p -103.46 5.67 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.3 m -62.44 -11.93 18.83 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.4 t90 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 174.86 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 . . . . . 0 C--O 1.216 -0.668 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -21.06 28.22 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.912 0.863 . . . . 0.0 109.884 176.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -59.99 -39.46 85.82 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.78 -45.75 91.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.166 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 45.3 mm-40 -82.78 -31.51 28.23 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -177.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -63.13 -43.33 98.69 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.536 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.28 -39.13 93.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.982 -0.449 . . . . 0.0 109.948 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.71 -43.55 93.09 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.677 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -63.11 -51.23 67.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -64.76 -26.45 68.36 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.305 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.3 ttp -63.87 -44.95 91.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -66.52 -50.17 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.137 0.97 . . . . 0.0 110.366 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.06 -34.02 77.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.263 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -88.99 -27.51 20.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.407 -0.808 . . . . 0.0 112.99 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.94 -35.0 74.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 173.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.45 91.15 Favored Glycine 0 C--O 1.211 -1.34 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.7 -46.46 88.05 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.858 0.837 . . . . 0.0 108.973 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -66.15 -35.74 81.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -66.71 -26.79 67.18 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.832 -0.542 . . . . 0.0 111.347 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.0 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -68.14 -41.46 81.58 Favored 'General case' 0 C--O 1.272 2.246 0 CA-C-O 123.665 1.698 . . . . 0.0 108.874 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -62.7 -33.45 75.13 Favored 'General case' 0 C--O 1.194 -1.84 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.365 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 p -68.57 -43.65 76.11 Favored 'General case' 0 C--O 1.203 -1.372 0 CA-C-N 119.174 0.897 . . . . 0.0 111.817 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -46.49 89.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -73.34 -24.32 60.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 116.206 -2.197 . . . . 0.0 115.021 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.58 -40.21 76.88 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -49.13 75.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.4 -57.35 13.15 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.864 -1.135 . . . . 0.0 113.382 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.17 -43.82 97.2 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -73.45 -34.53 65.45 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.109 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.13 -37.97 72.3 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.423 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -57.07 -42.61 80.97 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -71.21 -35.1 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.57 82.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -67.77 -59.06 3.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 171.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.06 -50.14 11.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.44 -40.96 8.43 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -97.85 -6.21 32.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 71.26 -34.66 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m 69.96 126.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.884 1.365 . . . . 0.0 109.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.15 -35.7 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.47 46.0 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.753 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.28 -28.32 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.35 -27.29 67.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.769 -0.582 . . . . 0.0 112.428 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.14 45.01 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.009 -171.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -44.4 -44.25 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.134 0.574 . . . . 0.0 112.478 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' HD1' ' HB2' ' A' ' 58' ' ' LEU . 12.0 p80 -150.8 -55.47 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.944 0.402 . . . . 0.0 111.309 175.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt 58.25 -175.04 0.08 Allowed 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.538 0.685 . . . . 0.0 109.225 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -56.83 -42.38 79.52 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.471 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.19 -56.16 24.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -28.82 48.79 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.509 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.436 ' HB2' ' HD1' ' A' ' 53' ' ' HIS . 6.2 tt -60.24 -47.41 86.09 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 174.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -60.54 -38.0 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -74.08 -33.35 63.62 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.4 -52.02 67.01 Favored 'General case' 0 C--O 1.253 1.255 0 CA-C-O 123.168 1.461 . . . . 0.0 107.812 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.67 -33.73 58.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.544 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.47 -35.35 77.43 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.668 0.667 . . . . 0.0 111.866 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.82 -48.51 66.03 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.52 71.33 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.516 0.674 . . . . 0.0 110.328 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -64.86 -34.4 78.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -69.21 -48.15 62.83 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -51.28 -48.86 62.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 122.654 1.216 . . . . 0.0 111.301 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.62 73.18 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.253 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -62.48 -43.53 98.58 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -61.95 -46.53 88.89 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.291 0.567 . . . . 0.0 109.529 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.13 -29.81 70.7 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.158 0.504 . . . . 0.0 111.292 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -79.9 -32.24 40.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.78 -35.04 76.55 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.14 76.88 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -56.57 -22.33 32.8 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.308 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.38 -30.45 64.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 117.758 0.254 . . . . 0.0 110.633 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.56 31.15 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 N-CA-C 117.426 1.73 . . . . 0.0 117.426 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.7 m -76.31 128.31 34.62 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 117.705 0.752 . . . . 0.0 111.976 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -103.64 -36.12 8.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.811 0.815 . . . . 0.0 109.758 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -167.28 -162.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.233 0 CA-C-O 122.219 1.009 . . . . 0.0 111.0 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--O 1.212 -0.882 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -56.63 14.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.188 -0.945 . . . . 0.0 111.944 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -74.28 -19.37 60.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.18 -32.63 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.8 -26.69 67.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.091 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.19 -31.14 60.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -36.88 78.3 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.42 -26.44 61.85 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.499 -0.751 . . . . 0.0 111.262 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.49 -42.99 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -59.18 -42.75 91.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -70.31 -32.24 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.89 -54.0 50.4 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.38 -44.32 95.75 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.13 -40.59 94.36 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.877 0.471 . . . . 0.0 111.654 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.61 -42.36 95.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.87 -43.58 75.08 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.84 -49.81 74.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.103 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -74.93 -18.41 60.4 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.45 -48.83 30.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -36.21 83.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.847 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.24 -47.45 83.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -63.54 -31.34 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.281 -0.262 . . . . 0.0 111.652 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -73.9 -24.79 59.75 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.569 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -92.94 -12.34 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.807 0.337 . . . . 0.0 111.777 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.2 m -75.15 -11.48 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 112.505 -178.327 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 120.999 0.428 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -108.11 31.29 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.837 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -52.87 -32.13 43.24 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.114 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -68.48 0.19 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -28.94 53.97 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.903 -0.498 . . . . 0.0 110.55 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -60.9 -47.53 85.99 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.606 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mtm -71.4 -40.88 70.25 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.75 -0.594 . . . . 0.0 109.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -56.59 -48.29 77.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.626 0.25 . . . . 0.0 110.457 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -66.35 -47.49 73.28 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -53.83 -46.61 71.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.099 0.409 . . . . 0.0 111.051 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.03 -40.27 95.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.096 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -72.53 -37.26 68.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.311 -0.556 . . . . 0.0 112.454 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.08 -39.53 90.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.09 -22.8 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.073 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.55 -37.58 85.38 Favored Glycine 0 C--O 1.212 -1.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.27 -41.31 96.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.363 1.082 . . . . 0.0 109.586 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.35 -34.03 77.21 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -68.92 -23.02 64.12 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 121.139 -0.976 . . . . 0.0 111.38 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.76 63.61 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -65.72 -45.42 82.78 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 123.819 1.771 . . . . 0.0 108.325 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -59.48 -36.28 75.72 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.801 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 p -67.43 -38.23 84.24 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 119.271 0.941 . . . . 0.0 113.052 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -45.5 77.17 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -66.75 -38.99 87.74 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.38 -36.09 82.55 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.83 -43.73 87.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.513 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.81 82.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 117.148 -1.821 . . . . 0.0 109.347 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.2 -32.19 73.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.815 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -72.74 -29.22 63.16 Favored 'General case' 0 C--O 1.206 -1.208 0 O-C-N 121.862 -0.524 . . . . 0.0 110.008 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.45 -46.5 66.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -54.29 -49.46 69.55 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -62.26 -43.52 98.64 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.635 0.255 . . . . 0.0 111.638 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.18 76.75 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -77.44 -63.96 1.25 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 115.997 -2.281 . . . . 0.0 108.911 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.91 -43.88 66.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -95.78 -39.06 10.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.78 -33.99 11.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -168.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 36.11 50.65 0.72 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -67.1 -179.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.124 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.6 m -58.82 -16.46 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.95 -0.469 . . . . 0.0 111.87 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.87 -9.67 58.58 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.85 -32.37 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -176.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.36 -38.19 24.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.913 0.863 . . . . 0.0 110.3 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.73 21.99 9.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.033 -173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.7 -34.04 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.1 m80 47.85 54.28 10.19 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -38.1 -42.25 0.64 Allowed 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.6 -49.18 78.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.902 0.858 . . . . 0.0 111.716 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.49 -37.42 77.22 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.169 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -46.79 79.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.192 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.81 -44.96 96.19 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.57 -45.01 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.229 -0.588 . . . . 0.0 112.082 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -82.64 -30.99 28.98 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.38 -43.64 73.14 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.97 -33.21 62.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.05 -36.02 81.13 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.686 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.92 -48.32 71.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.81 76.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.324 0.583 . . . . 0.0 110.357 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.994 -0.441 . . . . 0.0 110.851 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.99 -52.92 57.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -52.17 -45.27 65.03 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.309 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.55 92.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -63.28 -41.36 99.0 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.16 -39.08 93.24 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.95 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.41 -33.4 72.94 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.585 -0.697 . . . . 0.0 109.834 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.62 -48.09 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.17 -31.63 69.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.764 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -60.45 -46.39 90.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -33.31 73.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.552 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -84.88 5.74 27.65 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.477 0.656 . . . . 0.0 110.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -155.96 13.39 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.905 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -135.22 165.13 26.13 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.68 11.59 0.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.71 143.03 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.542 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--O 1.208 -1.081 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.45 -59.5 3.94 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.511 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 120.452 -1.405 . . . . 0.0 109.377 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.5 -34.06 76.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -66.67 -34.12 77.15 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.0 -33.63 74.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.23 -39.87 93.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.48 -25.24 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.739 -0.601 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.38 -42.95 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -60.96 -38.15 84.89 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -71.82 -30.67 65.74 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 118.549 0.613 . . . . 0.0 111.998 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.71 66.27 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.7 -34.29 72.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.127 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -69.17 -32.5 71.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.0 -0.438 . . . . 0.0 111.855 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -63.91 -42.3 97.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.38 90.88 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.257 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.21 -47.28 86.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.774 0.429 . . . . 0.0 111.441 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.9 -32.94 72.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.532 . . . . 0.0 110.721 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.05 -42.76 93.94 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.56 -38.52 90.4 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -58.74 -50.2 74.8 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 p -60.3 -35.93 76.71 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.862 0.363 . . . . 0.0 111.211 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.07 -3.54 42.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.716 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 p -126.87 7.28 6.7 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.701 0.4 . . . . 0.0 111.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 m -69.05 5.73 1.11 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.9 m95 . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.621 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -102.8 15.16 30.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.54 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 p -55.46 -37.28 67.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -42.69 99.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 111.51 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -76.66 -39.7 51.36 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -59.77 -41.22 90.6 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.271 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.5 ttm -66.25 -49.12 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.733 0.242 . . . . 0.0 110.497 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.92 -49.85 76.26 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.362 0.601 . . . . 0.0 110.356 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -61.98 -55.6 27.68 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.432 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -58.44 -35.51 72.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.946 1.248 . . . . 0.0 111.569 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.8 tpp -60.53 -49.41 77.64 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -83.77 -31.24 26.05 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -72.08 -36.35 69.51 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.67 -22.09 32.22 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.91 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.14 -39.99 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 169.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.75 -37.53 92.43 Favored Glycine 0 C--O 1.218 -0.869 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.636 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.59 -40.76 96.1 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.431 1.115 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -67.54 -36.11 80.36 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -61.88 -31.48 71.77 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.747 -0.595 . . . . 0.0 109.498 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.74 63.33 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.513 -0.742 . . . . 0.0 110.906 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -67.47 -45.07 77.0 Favored 'General case' 0 C--O 1.276 2.478 0 CA-C-O 124.236 1.969 . . . . 0.0 107.301 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -59.11 -33.26 70.63 Favored 'General case' 0 C--O 1.191 -2.021 0 CA-C-N 112.667 -2.061 . . . . 0.0 107.715 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -72.11 -31.03 65.66 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 119.568 1.076 . . . . 0.0 112.06 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.56 -55.7 31.21 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.3 -31.72 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -69.43 -36.12 76.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.45 -51.13 68.71 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -37.39 84.31 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 117.266 -1.774 . . . . 0.0 112.478 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -48.01 80.04 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.665 -0.647 . . . . 0.0 111.365 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -35.58 78.07 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.181 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.23 -49.08 77.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.01 -44.73 96.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.04 -49.09 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.964 0.411 . . . . 0.0 110.465 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.62 69.84 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.79 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -69.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 117.355 -1.738 . . . . 0.0 107.204 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -54.03 -36.26 62.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -171.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.96 -46.26 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.91 -17.67 17.47 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 68.0 -13.27 0.28 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p 65.94 153.59 0.07 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.53 1.532 . . . . 0.0 114.492 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.13 -13.1 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -83.47 14.65 3.54 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.234 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -29.94 -47.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.57 -25.24 67.89 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 64.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -44.5 -52.33 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.582 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 5.2 p80 -148.73 -72.81 0.19 Allowed 'General case' 0 C--O 1.239 0.524 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.582 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 53.7 mt 56.88 -170.9 0.09 Allowed 'General case' 0 C--O 1.254 1.32 0 CA-C-O 122.014 0.911 . . . . 0.0 111.398 -176.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.01 70.14 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.175 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -57.93 -56.07 26.79 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -72.4 -33.54 67.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 118.637 -1.225 . . . . 0.0 110.708 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.45 -44.82 95.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.435 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -65.12 -38.29 90.19 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.95 -29.8 61.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -77.31 -40.88 42.74 Favored 'General case' 0 C--O 1.248 0.995 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.71 -35.08 57.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -67.48 -34.01 76.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.728 1.149 . . . . 0.0 110.709 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -51.27 67.13 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.5 81.16 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.924 0.869 . . . . 0.0 111.516 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.46 -36.29 83.44 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.78 -0.575 . . . . 0.0 110.183 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -67.32 -47.29 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -52.31 -56.17 16.57 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.874 0.368 . . . . 0.0 111.055 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 -42.47 83.76 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -63.87 -40.96 97.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.831 -0.543 . . . . 0.0 109.548 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -68.78 -31.32 70.25 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.302 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -71.04 -31.07 67.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 118.527 0.603 . . . . 0.0 109.76 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -67.34 -44.43 79.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.63 -34.03 77.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.005 0.431 . . . . 0.0 109.921 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 tp -64.82 -45.36 86.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.449 0.643 . . . . 0.0 109.987 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.3 tpt85 -59.1 -31.09 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.296 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -76.42 -6.64 52.54 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.96 163.62 54.93 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.928 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 t -135.14 116.2 14.25 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.48 -47.63 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 120.843 3.646 . . . . 0.0 120.843 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.22 167.17 29.46 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 119.698 1.135 . . . . 0.0 113.237 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -175.613 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.74 -61.46 2.06 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.93 -16.86 57.85 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 120.644 -1.285 . . . . 0.0 108.534 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.71 -34.0 75.01 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 171.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.49 70.94 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.434 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.14 -36.51 82.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.12 -39.38 93.92 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -71.12 -23.01 62.01 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.594 -0.691 . . . . 0.0 111.512 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 t -70.16 -41.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.4 -38.39 83.84 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -71.87 -31.76 66.79 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.39 73.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.25 -33.27 75.58 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.909 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -68.16 -35.2 77.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -66.2 -41.21 90.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.79 96.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.01 -49.43 76.88 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.432 0.693 . . . . 0.0 109.689 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.21 -42.98 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.26 -44.24 95.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.06 -42.53 98.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.702 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.85 -49.92 75.91 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p -61.56 -34.05 74.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.055 0.455 . . . . 0.0 111.859 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.01 -20.74 51.94 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.256 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.6 p -95.05 -13.04 25.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.4 m -68.41 9.83 0.3 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 120.517 0.199 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -98.59 4.82 48.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -45.72 -43.1 12.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.62 -56.13 26.14 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 60.6 mm-40 -79.0 -27.42 43.33 Favored 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.952 -0.467 . . . . 0.0 109.856 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.8 -49.14 78.7 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.04 -42.42 89.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.72 0.295 . . . . 0.0 110.586 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -63.4 -40.39 97.09 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.281 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -64.95 -51.35 62.31 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -55.32 -39.71 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.442 0.464 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.46 -47.37 82.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.307 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -60.63 -42.98 97.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.662 0.268 . . . . 0.0 110.284 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.74 -43.86 87.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.006 0.432 . . . . 0.0 110.733 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.77 -26.29 54.34 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.9 -35.35 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.13 -38.83 88.51 Favored Glycine 0 C--O 1.212 -1.26 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.691 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.01 -41.08 97.58 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.158 0.979 . . . . 0.0 109.385 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -63.04 -39.26 94.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -65.29 -25.1 67.49 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.613 -0.68 . . . . 0.0 111.836 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.28 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.88 0.764 . . . . 0.0 109.37 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.8 -42.56 90.56 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 123.669 1.7 . . . . 0.0 107.881 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.88 -29.67 70.93 Favored 'General case' 0 C--O 1.202 -1.441 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.027 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -72.48 -42.91 64.38 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 118.957 0.799 . . . . 0.0 112.443 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.86 82.3 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -65.16 -37.24 86.75 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.171 -1.412 . . . . 0.0 113.916 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.15 -44.22 92.81 Favored 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -54.66 -52.04 63.6 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -44.26 72.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.934 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -40.9 91.84 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.32 0.964 . . . . 0.0 110.388 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.85 -37.76 73.15 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.642 0.377 . . . . 0.0 110.148 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.18 -48.48 73.31 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -57.95 -44.3 86.9 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.596 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -65.28 -46.87 78.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.689 0.28 . . . . 0.0 111.206 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.474 ' C ' ' HG1' ' A' ' 46' ' ' THR . . . -60.25 -35.06 74.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -63.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 117.337 -1.745 . . . . 0.0 109.821 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.41 -38.87 75.0 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -170.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -91.81 -46.04 8.08 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.069 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -97.57 -39.54 9.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 142.11 -58.69 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.987 2.115 . . . . 0.0 111.352 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.474 ' HG1' ' C ' ' A' ' 40' ' ' ALA . 6.1 m 69.58 139.59 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.918 1.287 . . . . 0.0 110.516 -172.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.91 -40.76 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.78 41.91 0.82 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.63 126.75 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 66.27 -43.23 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.933 1.693 . . . . 0.0 113.166 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -66.17 -7.37 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.795 1.238 . . . . 0.0 113.218 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.19 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.363 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 77.0 m80 47.88 73.38 0.21 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.52 -38.94 15.03 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.674 1.124 . . . . 0.0 110.924 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.04 -46.8 87.32 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -64.73 -45.8 84.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.077 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.7 mt -59.08 -47.18 86.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.38 -48.79 76.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.926 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.65 -48.39 66.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.83 -42.72 63.5 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.407 0.622 . . . . 0.0 111.773 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.45 -36.79 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -67.19 -28.91 68.49 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.148 1.34 . . . . 0.0 111.259 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -50.11 62.36 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.11 73.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.474 0.654 . . . . 0.0 110.53 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -65.57 -36.52 84.01 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.978 -0.451 . . . . 0.0 109.913 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -63.67 -51.14 66.45 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.17 -45.88 68.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 111.437 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.17 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -63.41 -41.67 98.73 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -61.26 -39.65 91.17 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.0 -24.29 60.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.543 0.211 . . . . 0.0 111.071 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -73.24 -46.48 49.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.77 -32.52 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -48.52 73.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -16.48 64.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.46 7.19 47.12 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.675 175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.69 173.24 45.28 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -136.84 179.82 6.14 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.763 -0.846 . . . . 0.0 109.531 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.67 -27.53 69.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -87.27 92.86 9.22 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.244 0.545 . . . . 0.0 110.465 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.318 -0.778 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 171.527 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.117 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.82 12.06 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.105 -0.997 . . . . 0.0 113.013 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -76.48 -16.92 59.55 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.658 -1.276 . . . . 0.0 108.769 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.7 -30.17 71.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.64 -22.9 65.3 Favored 'General case' 0 C--O 1.221 -0.435 0 O-C-N 121.074 -1.016 . . . . 0.0 109.698 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.03 -33.11 61.73 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.61 -35.45 78.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.78 -33.07 74.8 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.621 -0.674 . . . . 0.0 110.856 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.45 -43.27 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.08 -43.45 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -72.16 -30.0 64.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.73 69.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.06 -39.49 92.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.423 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -62.39 -36.11 81.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -68.4 -38.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.546 -0.721 . . . . 0.0 109.252 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.53 95.75 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.198 0.523 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.65 -46.68 88.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.746 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -37.87 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.804 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.89 -51.98 59.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.82 -43.36 80.93 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.271 0.558 . . . . 0.0 111.079 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -47.09 82.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -66.34 -28.49 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -78.09 -16.51 57.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.1 p -114.13 -27.15 7.77 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.903 2.927 . . . . 0.0 118.903 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 -51.52 66.74 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 121.461 3.875 . . . . 0.0 121.461 -168.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 118.345 2.72 . . . . 0.0 118.345 -171.309 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 . . . . . 0 N--CA 1.468 0.475 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -95.96 3.34 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -177.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.8 p -53.27 -40.2 64.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -40.01 95.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.0 -26.91 25.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.33 -51.97 66.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.5 ttp -60.21 -43.7 95.76 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.8 -50.82 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -68.18 -44.48 75.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.455 ' HG3' ' HE ' ' A' ' 76' ' ' ARG . 66.7 ttp -58.9 -43.05 90.96 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.153 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.36 -47.83 75.06 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -60.53 -46.55 89.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 111.755 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.79 -32.05 61.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.865 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.35 -30.26 57.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.116 -0.99 . . . . 0.0 110.711 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.13 -37.88 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.86 98.07 Favored Glycine 0 C--O 1.212 -1.258 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.35 -40.52 96.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.233 1.016 . . . . 0.0 110.118 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -64.47 -34.02 77.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -71.28 -21.22 62.12 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.842 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.55 -30.34 57.04 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -67.26 -44.78 78.53 Favored 'General case' 0 C--O 1.28 2.679 0 CA-C-O 124.422 2.058 . . . . 0.0 106.806 172.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.24 -30.11 70.25 Favored 'General case' 0 C--O 1.179 -2.621 0 CA-C-N 113.056 -1.884 . . . . 0.0 107.854 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.6 p -70.38 -30.96 68.0 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 119.909 1.231 . . . . 0.0 111.338 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.99 -55.57 32.91 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 101.578 -3.49 . . . . 0.0 101.578 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.15 -33.6 73.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.64 -35.32 77.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.47 63.21 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.428 HE21 ' CG2' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -66.32 -34.62 78.4 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 116.85 -1.94 . . . . 0.0 112.615 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.18 -46.34 74.24 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.22 -0.925 . . . . 0.0 110.916 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -65.38 -35.18 80.18 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.8 -45.31 93.25 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.534 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 -57.75 -48.83 78.52 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.96 -38.22 90.27 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -69.47 -59.12 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.58 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -49.2 -41.71 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -95.63 -46.3 6.68 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -101.03 -37.98 8.38 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 116.609 2.078 . . . . 0.0 116.609 -168.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 45.89 55.62 6.8 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.1 p -62.59 165.61 6.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.48 -8.15 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.176 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.22 -2.68 22.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.104 -0.372 . . . . 0.0 111.395 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -45.28 -31.13 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -59.14 -25.07 63.55 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -137.27 6.05 2.78 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -13.62 17.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.04 -132.23 0.08 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt 63.07 170.43 0.15 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 110.872 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.13 -31.21 65.11 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.195 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.84 -59.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -26.05 39.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.808 -175.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.6 tp -58.89 -49.69 76.82 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -58.49 -45.57 88.47 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.514 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -66.19 -40.31 90.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.54 -45.37 68.94 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 118.945 0.793 . . . . 0.0 109.625 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' CG2' HE21 ' A' ' 34' ' ' GLN . 16.9 pt -69.74 -20.04 23.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.189 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -77.1 -32.33 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.45 -0.781 . . . . 0.0 108.979 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -44.64 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.63 76.51 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.566 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.2 -29.18 67.97 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.983 -1.073 . . . . 0.0 110.844 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -66.47 -51.85 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.4 -46.37 56.19 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.875 0.369 . . . . 0.0 111.334 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.72 87.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -62.97 -40.49 97.87 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 121.499 -0.751 . . . . 0.0 109.354 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -62.03 -38.19 87.77 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.68 -25.8 59.41 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.825 -0.547 . . . . 0.0 110.457 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -66.98 -48.21 69.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.91 -43.23 91.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.422 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.25 -43.27 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HE ' ' HG3' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.36 -15.07 62.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.979 -0.45 . . . . 0.0 111.46 -178.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -82.15 -5.18 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.63 147.69 32.79 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.67 106.69 9.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.999 -0.707 . . . . 0.0 110.58 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.48 -56.02 0.66 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.785 1.634 . . . . 0.0 110.817 -176.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -162.83 158.78 23.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.183 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.209 -1.043 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.61 -43.27 12.79 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.31 -17.45 62.46 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.476 1.489 . . . . 0.0 108.817 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -64.58 -33.32 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.9 -28.54 69.6 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -69.33 -45.09 70.31 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -61.73 -34.5 75.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -80.74 -9.21 59.82 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.86 -27.87 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 167.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.71 -36.18 82.87 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.29 -45.76 79.32 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.534 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.69 59.3 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.73 -50.84 72.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -61.98 -35.44 78.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.086 -0.384 . . . . 0.0 111.65 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -62.65 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.22 94.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.52 -46.04 87.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.592 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.16 -38.55 88.36 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.08 -44.34 92.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.01 -23.14 62.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.192 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.59 -46.6 75.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -32.05 72.74 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.581 0.229 . . . . 0.0 110.77 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.16 -19.92 60.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.784 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -110.21 8.61 23.72 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.6 m -69.14 13.31 0.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 30.9 p90 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 178.829 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 . . . . . 0 C--O 1.228 -0.073 0 CA-C-O 120.749 0.309 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.53 -20.08 30.19 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.024 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -76.6 -35.63 58.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.63 1.104 . . . . 0.0 108.041 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -55.74 -54.74 40.64 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.65 -31.18 59.71 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.093 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -61.55 -46.34 90.31 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.9 ttp -62.38 -43.34 99.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.915 -0.491 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -62.47 -46.02 90.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.057 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -66.33 -45.52 79.96 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.6 ttp -57.94 -44.82 87.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.779 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.16 -35.62 78.34 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.205 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -73.47 -41.65 62.9 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.844 -0.535 . . . . 0.0 111.689 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -75.0 -15.06 60.67 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.533 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.96 -24.11 35.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.995 -1.065 . . . . 0.0 110.504 171.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 -40.51 91.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 172.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.21 -31.27 76.99 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.696 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.81 -32.96 70.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -72.41 -26.22 61.78 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -68.18 -34.7 76.79 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 119.1 -1.04 . . . . 0.0 108.639 170.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.0 77.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.231 0.923 . . . . 0.0 110.4 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.05 -47.96 75.5 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-O 123.121 1.439 . . . . 0.0 108.154 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.34 -33.27 73.35 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.249 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -69.21 -40.5 77.96 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 119.374 0.988 . . . . 0.0 110.45 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -46.54 89.12 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -68.86 -36.66 78.38 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 118.918 -1.113 . . . . 0.0 113.424 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -38.09 87.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.7 -51.86 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -43.66 77.59 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 117.684 -1.606 . . . . 0.0 113.746 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.37 -39.21 81.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.244 -0.91 . . . . 0.0 112.327 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -75.4 -28.5 59.47 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.915 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.5 -45.43 87.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -57.05 -44.18 82.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.39 -40.35 89.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.589 0.233 . . . . 0.0 111.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.57 91.74 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.8 -59.05 5.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.426 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -48.49 -43.26 34.77 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -174.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -91.21 -46.45 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.95 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -100.99 -35.94 9.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 82.23 -6.14 1.39 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 126.232 1.813 . . . . 0.0 110.628 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 p 65.29 162.14 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.09 -23.02 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -90.17 38.01 0.91 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.682 176.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -51.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -107.97 5.37 26.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.477 0.656 . . . . 0.0 109.821 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -124.04 10.31 8.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -38.58 75.04 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 119.539 -0.267 . . . . 0.0 111.137 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.7 m80 45.88 55.13 7.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -31.71 -51.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.48 -45.23 95.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.456 0.571 . . . . 0.0 111.489 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.19 -42.69 83.77 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.12 96.11 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.51 -44.83 93.16 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.67 -41.97 87.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.503 -0.748 . . . . 0.0 110.799 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.96 -42.92 62.89 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.63 -43.28 73.0 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.275 1.036 . . . . 0.0 110.006 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.98 -28.5 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.7 -33.8 74.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.699 -1.251 . . . . 0.0 110.289 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.49 -41.71 88.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.33 78.39 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.065 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -66.41 -35.52 80.53 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.11 -53.73 51.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.3 -50.14 59.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.53 75.62 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -64.51 -40.33 95.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.473 ' HE ' ' CD ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -64.5 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -36.54 81.08 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 76' ' ' ARG . 46.9 mtpt -59.22 -52.42 65.78 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.138 0.881 . . . . 0.0 109.303 174.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.05 -32.64 73.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.446 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.04 -42.95 72.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 51.9 mtp180 -61.13 -32.99 72.68 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 122.061 -0.399 . . . . 0.0 110.622 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.84 6.29 6.38 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.819 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.53 -179.56 43.62 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -162.75 -170.35 2.35 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.2 146.31 23.79 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.24 7.15 6.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.208 1.003 . . . . 0.0 112.555 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 125.494 1.518 . . . . 0.0 113.854 179.128 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 83.2 t80 . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -57.33 10.83 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.53 -0.731 . . . . 0.0 111.975 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -73.67 -16.83 61.2 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.87 -1.144 . . . . 0.0 109.841 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.93 -28.06 68.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.473 ' CD ' ' HE ' ' A' ' 71' ' ' ARG . 17.7 mm-40 -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.71 -36.67 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.03 -36.09 83.27 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.968 0.889 . . . . 0.0 109.047 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -77.12 -23.65 51.76 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.416 -0.803 . . . . 0.0 111.549 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -67.83 -44.2 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.88 -41.3 82.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.217 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -75.09 -31.45 61.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.587 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.29 82.33 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.82 -43.22 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.662 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.4 ttt85 -61.88 -37.12 83.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.151 -0.343 . . . . 0.0 111.375 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -66.67 -38.02 85.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.09 84.35 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 109.815 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -57.84 -42.82 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.675 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -73.64 -29.34 62.29 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -66.43 -45.02 81.25 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.77 -37.18 86.72 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.966 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.83 -48.0 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.8 p -64.43 -29.15 70.21 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -77.31 -20.76 54.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.888 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -98.94 -12.16 20.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.8 m -73.55 -3.88 30.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 56.5 t90 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.224 0.535 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -104.53 9.41 35.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 p -56.3 -41.74 76.46 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -43.76 97.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -176.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.97 -33.55 21.09 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -61.43 -44.17 97.59 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.55 -44.2 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.98 -47.31 85.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.606 0.241 . . . . 0.0 110.684 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -68.2 -44.27 76.19 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 ttp -54.96 -45.31 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.165 0.439 . . . . 0.0 110.274 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.73 -52.23 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.604 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.39 -36.7 79.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.64 -31.78 67.22 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.02 -24.16 43.86 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.132 -0.98 . . . . 0.0 111.225 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.23 -39.05 96.72 Favored Glycine 0 C--O 1.224 -0.515 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.48 -40.2 95.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -70.83 -25.15 62.72 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.414 -0.804 . . . . 0.0 110.754 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -73.99 -23.43 59.45 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.385 -0.822 . . . . 0.0 110.009 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.99 64.01 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.77 -42.75 97.72 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-O 122.828 1.299 . . . . 0.0 108.518 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.98 -43.4 98.91 Favored 'General case' 0 C--O 1.179 -2.656 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.388 173.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -58.85 -41.41 86.89 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 120.122 1.328 . . . . 0.0 112.158 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -48.5 65.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.151 0.887 . . . . 0.0 108.774 176.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -72.55 -26.31 61.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 117.418 -1.713 . . . . 0.0 114.801 -177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.14 -35.58 71.76 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.95 -42.8 99.53 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -62.08 -47.52 84.31 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.77 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -44.38 96.85 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.453 0.644 . . . . 0.0 111.208 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.06 -35.72 80.47 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.384 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.16 -46.79 79.44 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -56.43 -47.41 79.13 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.841 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -66.43 -42.81 87.14 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 -34.98 69.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.37 -62.8 1.57 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.772 168.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -51.1 -52.05 47.44 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -167.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -96.03 -34.37 11.78 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.175 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -16.74 20.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 118.105 2.631 . . . . 0.0 118.105 -169.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.21 44.05 2.12 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.867 1.267 . . . . 0.0 114.045 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -102.01 -134.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 173.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.2 m 42.1 44.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.248 1.019 . . . . 0.0 111.838 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 51.17 61.75 3.08 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.654 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.39 140.82 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 71.05 -41.03 0.49 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.567 1.947 . . . . 0.0 112.446 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -100.73 26.63 6.63 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -55.06 -40.29 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.864 0.866 . . . . 0.0 111.812 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.4 m80 47.72 51.65 13.76 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -29.91 30.6 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.13 -44.07 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.93 0.786 . . . . 0.0 111.114 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.79 -45.34 71.55 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -60.43 -46.79 88.76 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.231 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.92 -46.72 87.26 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -53.99 -49.24 69.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.19 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -76.76 -41.08 46.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -175.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.73 -44.86 65.96 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 110.274 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.19 -35.14 67.37 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.97 -48.01 82.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.309 0.959 . . . . 0.0 110.293 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.31 -45.34 93.75 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-O 121.239 0.542 . . . . 0.0 110.274 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.37 73.82 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -73.72 -29.82 62.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.495 -0.753 . . . . 0.0 110.699 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.9 -46.62 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -58.85 -42.82 90.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.163 -1.415 . . . . 0.0 113.904 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -40.74 71.64 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.953 -1.092 . . . . 0.0 112.254 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.9 -41.77 97.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.137 -0.352 . . . . 0.0 110.658 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -60.94 -43.97 97.93 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.55 -35.84 82.02 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.803 -0.561 . . . . 0.0 110.183 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.5 -50.58 69.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.268 -0.27 . . . . 0.0 111.113 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.63 -30.83 66.2 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.41 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.09 -44.61 91.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -33.63 73.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.228 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.16 3.42 17.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.018 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.24 177.51 53.43 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 122.849 1.249 . . . . 0.0 115.5 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 p -113.74 170.68 8.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.562 -0.819 . . . . 0.0 110.932 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.15 77.04 0.96 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -165.06 167.63 18.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 122.042 0.925 . . . . 0.0 109.992 179.79 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER . . . . . 0 C--O 1.201 -1.486 0 N-CA-C 119.463 3.134 . . . . 0.0 119.463 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.47 -61.44 2.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -80.36 -16.98 53.26 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.763 -1.836 . . . . 0.0 108.758 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.34 -28.42 69.28 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 170.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.52 -32.41 73.75 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.26 -32.74 70.71 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.86 -33.46 75.65 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.36 -27.79 63.6 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.493 -0.754 . . . . 0.0 110.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.16 -42.0 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 -61.83 -36.92 82.58 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.83 -40.78 83.73 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.343 0.52 . . . . 0.0 111.787 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.44 -47.26 79.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.72 -45.32 87.06 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.814 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -61.17 -39.8 91.49 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -62.17 -49.01 77.53 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.18 71.44 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -67.19 -36.44 81.76 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.824 -176.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -74.5 -31.91 62.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 118.107 0.412 . . . . 0.0 110.266 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.01 -51.01 63.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -38.61 87.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.958 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.15 -47.47 83.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.29 -20.6 51.22 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.986 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -96.11 -3.89 43.78 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 122.045 -0.409 . . . . 0.0 110.519 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m -71.97 10.1 0.79 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.463 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -97.37 3.93 50.89 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.4 p -55.83 -33.79 64.8 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 6.2 pttp -53.02 -59.26 4.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.36 0.6 . . . . 0.0 112.355 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -76.38 -33.98 58.89 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 -176.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.64 -50.61 72.58 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -63.65 -50.25 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -58.74 -46.01 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.375 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.38 -45.64 68.82 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.402 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.9 mmt -64.5 -37.56 87.97 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttm -58.48 -53.57 56.87 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -64.65 -43.0 95.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.701 -0.625 . . . . 0.0 111.21 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -19.34 33.16 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.586 -0.696 . . . . 0.0 110.571 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.38 -38.94 91.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 169.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.0 84.44 Favored Glycine 0 C--O 1.22 -0.769 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.123 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.89 -44.38 85.47 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.919 0.866 . . . . 0.0 108.965 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.86 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.53 -20.61 65.77 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.027 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.2 -44.87 35.85 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.26 0.936 . . . . 0.0 110.745 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.96 -41.98 85.98 Favored 'General case' 0 C--O 1.295 3.464 0 CA-C-O 123.991 1.853 . . . . 0.0 108.759 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -58.93 -39.07 80.5 Favored 'General case' 0 C--O 1.18 -2.594 0 CA-C-N 112.968 -1.924 . . . . 0.0 107.184 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -65.28 -30.29 71.15 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 120.234 1.379 . . . . 0.0 112.087 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' HG ' ' HA ' ' A' ' 27' ' ' GLU . 14.6 mt -60.83 -58.21 9.42 Favored 'General case' 0 C--O 1.26 1.658 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 174.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -71.87 -33.46 68.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 117.184 -1.806 . . . . 0.0 115.51 -172.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -65.63 -37.03 85.41 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.73 -52.9 54.6 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.716 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.87 89.74 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 116.689 -2.004 . . . . 0.0 110.753 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -50.72 72.55 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.136 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.61 -35.06 79.79 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 118.186 0.448 . . . . 0.0 111.376 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.36 -45.4 93.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -65.69 -32.62 74.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.335 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.22 -43.15 78.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.058 0.844 . . . . 0.0 109.247 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.85 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.35 -63.7 1.01 Allowed 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.621 -1.232 . . . . 0.0 108.822 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -52.21 -37.52 55.26 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -172.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.97 -46.39 6.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -97.13 -35.58 10.74 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 -169.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 39.55 51.3 2.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.9 m -51.44 150.39 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.56 -25.19 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.76 23.83 0.64 Allowed 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 112.236 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.08 -28.78 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.319 0.647 . . . . 0.0 112.662 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.86 -21.15 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.424 0.63 . . . . 0.0 111.256 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -116.45 -11.2 11.17 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.761 0.824 . . . . 0.0 111.843 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.0 t -56.93 -39.66 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.105 0.253 . . . . 0.0 111.623 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.64 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -143.8 -119.06 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.64 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 52.4 mt 65.48 169.58 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.936 1.294 . . . . 0.0 109.455 -176.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -52.5 -37.37 57.22 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.841 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -62.0 -56.15 22.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -76.25 -32.18 58.73 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.342 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.01 -45.96 91.29 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.368 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -65.05 -40.5 94.85 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.738 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.77 -48.7 80.61 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.436 0.562 . . . . 0.0 112.403 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.49 -48.33 72.96 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.406 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.0 pt -66.59 -28.21 42.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 118.607 -1.237 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -69.01 -40.54 78.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.142 0.883 . . . . 0.0 110.243 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.69 -47.4 72.52 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.605 0.717 . . . . 0.0 109.642 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.67 91.77 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.118 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -66.1 -28.81 69.1 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.834 -0.541 . . . . 0.0 111.349 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.65 -48.49 66.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -72.76 -20.16 61.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 116.894 -1.922 . . . . 0.0 111.811 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.622 -1.298 . . . . 0.0 109.267 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.76 -35.53 80.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -67.11 -35.55 80.0 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.229 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -38.23 89.75 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.143 -0.973 . . . . 0.0 109.635 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.18 -40.07 90.2 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.648 -0.657 . . . . 0.0 110.17 176.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.65 -33.62 76.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.498 -0.751 . . . . 0.0 110.045 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -58.8 -38.61 78.98 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.117 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -97.79 15.38 23.88 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.238 0.542 . . . . 0.0 110.324 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.73 -88.43 1.36 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 121.305 3.282 . . . . 0.0 121.305 -172.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 t -160.95 164.95 30.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.015 -0.697 . . . . 0.0 112.35 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.45 -37.0 81.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.199 0.6 . . . . 0.0 110.224 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -170.25 167.57 8.49 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.33 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -57.97 6.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.85 -1.156 . . . . 0.0 108.646 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -42.6 95.81 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -75.92 -22.3 56.18 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.586 -1.246 . . . . 0.0 110.274 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.75 -41.15 96.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.53 -27.92 66.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -32.2 67.48 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.867 -0.521 . . . . 0.0 110.338 174.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.1 -35.45 58.86 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 CA-C-O 122.422 1.106 . . . . 0.0 108.699 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.73 -31.88 72.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -74.94 -33.85 62.02 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.998 -0.438 . . . . 0.0 110.159 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.39 70.45 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 173.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.1 -45.91 89.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -59.02 -40.04 83.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -64.43 -46.11 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -47.98 83.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.8 -37.98 89.4 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.951 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.31 -34.59 72.9 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.398 -0.814 . . . . 0.0 111.948 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.52 -39.8 89.14 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.819 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -54.93 -52.51 62.74 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -35.63 76.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.07 -20.53 52.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.021 -0.424 . . . . 0.0 111.106 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -103.22 -1.4 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.34 0.656 . . . . 0.0 112.722 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.0 m -58.37 -18.39 27.47 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.6 t90 . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 174.198 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -105.81 -20.13 13.54 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.828 0.823 . . . . 0.0 113.1 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -71.24 -37.39 71.98 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -171.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -59.04 5.02 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -85.33 -25.13 27.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.037 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.23 -48.1 81.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 118.26 -1.376 . . . . 0.0 108.613 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.9 mmt -71.58 -34.82 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.679 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -62.04 -45.18 94.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.356 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.95 -45.1 87.17 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -54.62 -47.15 73.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.24 -41.87 93.92 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.85 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -63.41 -40.57 97.55 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.939 0.399 . . . . 0.0 110.116 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.52 -38.28 84.04 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.343 -0.223 . . . . 0.0 110.539 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.61 -27.28 45.47 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.792 -0.763 . . . . 0.0 112.399 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.12 -41.37 97.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.16 -37.1 92.7 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.21 -44.65 94.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.598 0.699 . . . . 0.0 109.441 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.95 -33.06 71.62 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.565 -0.709 . . . . 0.0 109.984 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -62.56 -34.6 77.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.514 -0.741 . . . . 0.0 109.215 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.73 72.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.898 -0.501 . . . . 0.0 109.733 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 11.4 tt0 -65.07 -43.11 93.27 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 123.523 1.63 . . . . 0.0 109.032 175.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -63.29 -30.63 71.74 Favored 'General case' 0 C--O 1.194 -1.857 0 CA-C-N 114.045 -1.434 . . . . 0.0 108.744 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.7 p -69.04 -33.52 73.74 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 119.78 1.173 . . . . 0.0 110.638 175.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 27' ' ' GLU . 11.2 mt -59.69 -51.99 67.42 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 173.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -73.36 -26.74 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.27 -40.8 90.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.86 -48.92 78.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.23 -59.38 4.74 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.593 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.88 -46.33 88.34 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -72.53 -22.16 61.07 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 121.49 -0.756 . . . . 0.0 112.08 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.62 -44.32 28.67 Favored 'General case' 0 C--O 1.27 2.178 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -56.65 -43.92 80.81 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 114.639 -1.164 . . . . 0.0 107.9 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.41 -31.81 65.83 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.06 85.17 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.02 -63.92 1.31 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 114.762 -2.775 . . . . 0.0 111.416 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.48 -39.78 80.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -167.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -95.64 -43.08 8.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -96.75 -12.66 23.43 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -166.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 44.88 32.89 0.89 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 170.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -66.56 170.16 6.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 m -62.74 -8.0 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -20.8 62.14 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.538 0.335 . . . . 0.0 111.451 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.3 130.47 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.693 0.282 . . . . 0.0 111.333 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 68.8 -46.4 0.55 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.955 1.702 . . . . 0.0 112.964 -174.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -64.26 -15.39 60.02 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.751 0.82 . . . . 0.0 112.082 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -27.16 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.921 174.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.7 t60 54.56 52.15 12.79 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -175.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.7 tp -32.11 -51.88 0.25 Allowed 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -170.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.98 -47.66 83.82 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.352 0.978 . . . . 0.0 111.113 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -66.76 -39.36 87.85 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.5 -47.32 84.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.89 -48.53 81.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -53.23 -46.22 69.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.07 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -74.94 -44.43 48.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -63.24 -47.9 80.52 Favored 'General case' 0 C--O 1.274 2.383 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.9 pt -70.92 -22.01 22.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.466 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.486 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.34 -37.46 80.52 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.869 1.213 . . . . 0.0 109.609 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.42 -45.8 58.0 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 121.458 0.646 . . . . 0.0 109.75 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.62 81.1 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 117.863 -1.535 . . . . 0.0 109.832 177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -64.66 -31.73 73.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.145 0.578 . . . . 0.0 109.83 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.69 -53.58 49.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.96 -27.41 66.57 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 116.796 -1.962 . . . . 0.0 113.176 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.07 76.49 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.761 -1.212 . . . . 0.0 111.154 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.43 -37.3 86.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.87 -36.35 84.06 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.45 -36.98 84.11 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.764 -0.585 . . . . 0.0 109.836 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.63 -47.31 84.31 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.492 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.96 -39.27 88.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.906 0.384 . . . . 0.0 111.274 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.99 -44.09 90.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.21 -37.97 87.37 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.056 0.455 . . . . 0.0 110.209 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.25 13.76 4.02 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.436 0.636 . . . . 0.0 110.414 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.48 -128.4 2.02 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.396 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -139.72 167.78 21.32 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.1 -0.647 . . . . 0.0 112.059 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.78 130.52 44.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 p30 57.17 175.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.971 -178.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.5 p90 . . . . . 0 C--O 1.204 -1.295 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.56 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -78.37 -20.12 51.93 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 121.109 -0.995 . . . . 0.0 108.571 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.6 -36.0 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 169.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.2 -25.71 63.55 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.626 -0.671 . . . . 0.0 109.991 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.72 -37.74 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.54 -36.04 81.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -30.86 71.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.676 -0.64 . . . . 0.0 111.533 175.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.32 -35.13 45.62 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -38.06 77.73 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 173.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.75 -25.09 53.08 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.93 79.79 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 170.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.34 -41.92 88.86 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.872 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.66 75.33 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.715 -0.616 . . . . 0.0 110.714 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -46.42 89.67 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.97 -51.68 68.24 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.952 0.882 . . . . 0.0 110.229 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.77 -39.55 81.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.325 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.95 -40.02 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.98 -38.16 79.18 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.71 -35.46 80.64 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 112.114 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.36 -48.45 81.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.7 p -62.95 -32.91 74.33 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.006 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -78.05 -19.63 53.93 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.787 -0.571 . . . . 0.0 109.997 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p -97.05 -18.61 19.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.255 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.9 m -90.51 -17.49 26.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 8.8 m95 . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.681 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.75 10.63 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.017 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -45.77 -38.98 7.64 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -172.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.546 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 5.8 pttp -47.27 -78.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.272 1.034 . . . . 0.0 113.559 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.546 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 28.7 tp10 -77.53 -26.4 51.03 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.366 -174.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -66.66 -47.15 73.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.975 -0.453 . . . . 0.0 111.141 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -70.62 -38.28 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -44.64 80.31 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -56.7 16.67 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.712 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -58.53 -35.03 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.72 -50.92 65.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.5 -41.17 84.76 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -64.82 -48.74 73.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.372 0.606 . . . . 0.0 112.169 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.33 -26.03 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -72.8 -25.75 61.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.7 -40.72 85.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 172.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.1 -38.96 88.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -64.2 -37.43 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.645 -0.659 . . . . 0.0 110.051 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.19 -37.13 84.12 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.44 94.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.561 1.073 . . . . 0.0 111.911 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.62 -44.68 81.39 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 123.966 1.841 . . . . 0.0 109.298 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -61.36 -33.08 73.05 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.116 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -68.63 -42.45 78.03 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.581 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -48.43 76.0 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.31 -39.68 89.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.223 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -68.45 -27.53 66.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.6 -51.47 59.41 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -41.41 92.5 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 117.0 -1.88 . . . . 0.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.66 -50.97 70.5 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.658 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.2 -22.13 60.52 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.6 -43.22 56.59 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -59.87 -43.45 94.71 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -59.58 -48.86 79.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.867 0.303 . . . . 0.0 110.56 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.25 83.49 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.34 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 115.227 -2.589 . . . . 0.0 110.219 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -58.69 -39.39 80.6 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -167.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -96.04 -40.81 9.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.092 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -96.84 -9.82 27.87 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 39.55 48.75 1.87 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.5 t -50.74 155.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.719 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.57 -21.26 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.61 0.764 . . . . 0.0 113.015 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -93.15 25.12 3.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.1 137.16 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 69.6 -43.31 0.52 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.215 1.406 . . . . 0.0 112.701 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.94 -32.81 71.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.091 0.556 . . . . 0.0 110.062 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.45 -13.62 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 27.84 87.71 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -39.07 -41.77 0.84 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -175.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.7 -52.43 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.126 0.875 . . . . 0.0 111.765 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.21 -39.62 78.49 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -50.26 74.73 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.855 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.6 -44.91 95.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -56.71 -46.19 81.4 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.268 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -78.56 -33.17 47.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.97 -42.54 60.33 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.537 -0.727 . . . . 0.0 109.867 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.45 -35.92 74.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -63.88 -40.43 96.52 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.909 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.51 -46.76 86.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.58 -31.51 72.59 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.24 0.543 . . . . 0.0 110.96 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -64.52 -35.36 80.72 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.511 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.32 -45.63 69.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.71 -49.89 67.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 120.912 0.387 . . . . 0.0 111.431 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.79 86.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -62.92 -42.46 99.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -62.24 -32.37 73.04 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.175 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.57 -23.18 56.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -72.78 -46.73 51.74 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.128 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.71 -43.37 76.46 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.643 1.211 . . . . 0.0 108.209 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.1 tp -64.43 -46.7 82.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.306 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -22.04 65.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.0 9.76 29.37 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.811 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.05 -172.69 40.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 106.691 -2.563 . . . . 0.0 106.691 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -129.1 -166.9 1.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.43 2.28 0.64 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -155.63 165.86 35.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 122.514 1.15 . . . . 0.0 110.661 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 C--O 1.208 -1.085 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.04 -56.75 8.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.73 -18.64 60.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.073 -1.017 . . . . 0.0 109.067 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.7 -40.67 88.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.66 -21.35 62.61 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.78 -35.73 70.11 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.81 -36.84 75.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 120.978 -1.076 . . . . 0.0 108.23 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.58 -24.34 62.75 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.893 -0.504 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.07 -40.86 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 172.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 tpt85 -62.51 -33.14 74.29 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.984 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -71.6 -39.02 70.78 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 119.152 0.887 . . . . 0.0 111.161 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.25 72.93 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -42.2 99.7 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.735 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -64.53 -35.32 80.59 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 7.3 tmtt? -64.54 -48.88 73.43 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.36 95.45 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.282 0.563 . . . . 0.0 110.998 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.38 -53.84 53.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.529 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 102' ' ' LYS . 16.3 pttt -71.19 -23.06 61.96 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.246 0.546 . . . . 0.0 112.245 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -70.67 -44.94 66.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.38 -32.86 74.51 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.364 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.27 -47.21 86.96 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -62.85 -30.71 71.71 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -78.2 -20.8 51.16 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.98 -0.45 . . . . 0.0 110.328 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -105.4 4.39 30.71 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.734 0.302 . . . . 0.0 111.274 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.7 m -66.58 -4.06 7.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 124.191 0.996 . . . . 0.0 113.301 174.551 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.726 0.298 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -103.93 17.75 23.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.109 -177.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -54.36 -34.08 60.4 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -59.21 -55.56 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.63 -34.88 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.846 -0.534 . . . . 0.0 110.996 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.06 -42.03 90.02 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.171 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 ttm -67.88 -39.3 83.69 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.53 -0.731 . . . . 0.0 109.849 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -55.5 -48.95 73.8 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -61.45 -54.2 46.56 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.536 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 74.4 mtm -53.42 -55.28 26.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.033 -0.417 . . . . 0.0 111.813 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mmt -61.16 -48.21 82.62 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -81.79 -34.4 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -88.25 -19.26 27.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.518 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -81.78 -23.78 36.38 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 118.907 -1.117 . . . . 0.0 108.337 171.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.19 -42.22 93.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.229 -2.137 . . . . 0.0 105.229 170.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.08 -37.75 95.45 Favored Glycine 0 C--O 1.215 -1.079 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.515 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.54 -39.68 94.22 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.188 0.994 . . . . 0.0 109.576 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.78 -29.98 70.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -22.88 60.83 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.811 -0.556 . . . . 0.0 110.822 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.33 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.485 1.039 . . . . 0.0 108.482 173.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.25 -43.71 98.22 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -59.42 -35.52 74.15 Favored 'General case' 0 C--O 1.176 -2.791 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.486 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -63.65 -41.54 98.21 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.668 1.576 . . . . 0.0 111.818 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -44.92 95.55 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.11 -35.18 76.17 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.865 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -66.36 -39.42 89.15 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.4 -57.86 10.98 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.09 90.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 117.206 -1.798 . . . . 0.0 114.018 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -67.06 -43.91 81.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.365 -0.835 . . . . 0.0 111.715 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -70.89 -26.89 63.43 Favored 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.328 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -70.26 -46.02 65.22 Favored 'General case' 0 C--O 1.256 1.401 0 CA-C-O 122.303 1.049 . . . . 0.0 110.03 173.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.77 -36.56 81.4 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.872 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -76.2 -25.57 55.29 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.842 0.353 . . . . 0.0 110.672 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.89 66.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -78.28 -63.64 1.35 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 116.239 -2.184 . . . . 0.0 108.636 168.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.32 -51.24 19.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -170.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.02 -40.73 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.15 0.5 . . . . 0.0 111.133 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -96.96 -12.02 23.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -166.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.6 48.73 3.59 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 m -45.72 137.25 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.263 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 p -55.19 -25.91 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.49 32.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.385 -0.822 . . . . 0.0 111.654 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -53.77 -33.98 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -76.68 -11.24 59.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.342 0.591 . . . . 0.0 112.318 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -144.61 35.83 1.17 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.139 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -33.11 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -153.45 -55.29 0.11 Allowed 'General case' 0 C--O 1.237 0.407 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.7 mt 60.31 -178.36 0.1 Allowed 'General case' 0 C--O 1.25 1.079 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -170.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.439 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 28.3 mp0 -62.33 -36.52 82.46 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.715 -0.616 . . . . 0.0 109.508 -176.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.24 -56.28 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.072 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -79.19 -23.71 43.67 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.029 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.69 -46.87 87.84 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -63.41 -35.56 80.83 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.659 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.29 -46.91 75.33 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -63.65 -48.79 75.8 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.8 mt -63.86 -31.69 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.759 -0.588 . . . . 0.0 110.898 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -68.74 -32.39 72.12 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.712 -1.242 . . . . 0.0 110.25 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.26 -40.27 67.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.01 80.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.966 0.889 . . . . 0.0 109.603 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -65.58 -34.95 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.287 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.4 -51.14 55.49 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -49.12 -47.86 45.06 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.92 99.62 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.34 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -65.81 -33.19 75.28 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.162 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.99 -28.78 64.69 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -72.2 -43.31 64.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.93 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.64 -36.81 84.76 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.33 -49.28 72.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -16.61 64.08 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -41.14 96.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.44 179.5 27.27 Favored Glycine 0 C--O 1.228 -0.258 0 N-CA-C 119.504 2.561 . . . . 0.0 119.504 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -161.31 165.07 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.25 -0.83 20.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -154.24 131.63 11.24 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.162 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.512 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.213 -0.828 0 CA-C-O 119.643 -0.218 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.26 -56.68 11.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 118.351 -1.34 . . . . 0.0 110.486 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.56 -17.49 61.71 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.184 -0.947 . . . . 0.0 110.772 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -61.78 -36.51 81.27 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.28 -29.31 70.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.415 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.04 -39.19 83.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.49 -39.63 88.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.661 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -72.38 -24.81 61.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.787 -0.571 . . . . 0.0 111.334 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.2 -42.08 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.51 -41.67 85.96 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.53 -33.32 71.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.36 75.7 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.96 -37.32 86.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.39 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.28 -38.34 88.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.38 -46.56 82.83 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.75 87.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.056 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.36 -45.38 94.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 0.0 111.272 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 108' ' ' GLU . 53.8 tptt -67.33 -31.88 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.351 0.596 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.28 -41.68 80.68 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.7 -34.58 78.54 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 121.715 -0.615 . . . . 0.0 110.887 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 105' ' ' LYS . 24.4 tt0 -58.04 -47.28 83.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -62.9 -32.3 73.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.998 -0.439 . . . . 0.0 110.939 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -78.13 1.79 20.09 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -130.83 2.67 4.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -68.18 -25.45 65.25 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 118.464 0.575 . . . . 0.0 110.415 179.44 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.333 0.111 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 2.45 36.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -55.91 -33.37 64.59 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 9.7 pttp -54.16 -72.25 0.06 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 31.6 mm-40 -77.19 -25.55 51.9 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.672 -0.643 . . . . 0.0 109.804 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -64.98 -42.92 94.14 Favored 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.408 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 tpt -67.66 -42.64 81.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.652 0.66 . . . . 0.0 109.745 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -55.71 -52.87 62.4 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.562 0.696 . . . . 0.0 110.258 178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -66.15 -47.89 72.56 Favored 'General case' 0 C--O 1.182 -2.497 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.4 ttp -53.5 -42.26 67.13 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.2 1.364 . . . . 0.0 111.953 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.8 ttm -60.09 -54.42 46.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -70.07 -32.39 70.45 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -73.4 -34.25 65.4 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.2 mt -84.05 -22.81 31.13 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 119.171 -1.012 . . . . 0.0 110.378 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.4 -48.2 82.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 167.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.29 98.15 Favored Glycine 0 C--O 1.213 -1.196 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.102 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.0 -39.49 89.93 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.325 1.062 . . . . 0.0 108.489 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -76.29 -20.82 56.95 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.297 -0.877 . . . . 0.0 112.198 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -75.35 -26.19 58.37 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.29 62.15 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -63.54 -43.3 97.5 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 123.488 1.613 . . . . 0.0 107.008 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.68 -23.63 65.33 Favored 'General case' 0 C--O 1.188 -2.183 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.239 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.8 p -73.31 -33.96 65.46 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 120.912 1.687 . . . . 0.0 108.572 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.94 -57.41 12.97 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -67.44 -35.23 78.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.91 -35.81 77.28 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -60.49 -52.36 65.53 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.151 0.887 . . . . 0.0 109.128 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -44.24 79.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 118.011 -1.476 . . . . 0.0 113.357 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -65.34 -43.48 90.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.712 -0.617 . . . . 0.0 111.214 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -70.21 -30.91 68.12 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.603 -0.686 . . . . 0.0 109.899 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.9 -48.5 68.53 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -61.2 -41.0 96.04 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.53 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.7 -38.24 86.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.054 -0.404 . . . . 0.0 110.401 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.71 86.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.62 -60.33 3.47 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 117.56 -1.656 . . . . 0.0 108.786 171.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.96 -50.86 18.28 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.09 -36.42 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -96.9 -36.29 10.62 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 38.48 51.94 1.7 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 p -62.0 170.84 1.96 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.01 -30.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.86 -15.28 54.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.43 -27.24 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.746 0.703 . . . . 0.0 111.227 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -77.06 -26.48 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.881 0.848 . . . . 0.0 109.501 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -122.46 24.53 9.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -35.06 61.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.836 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.8 m80 48.5 54.75 9.99 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -40.42 -41.93 1.5 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.16 -53.2 61.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.912 1.233 . . . . 0.0 110.209 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.13 -37.27 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.934 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.83 -47.98 64.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.256 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.63 -45.71 88.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -56.4 -45.26 80.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.46 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.51 -38.07 30.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.38 -43.51 77.17 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.075 0.94 . . . . 0.0 108.646 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.76 -34.75 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -65.29 -34.95 79.54 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.845 -1.16 . . . . 0.0 110.979 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.7 -48.44 66.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.54 -33.15 74.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.124 0.964 . . . . 0.0 110.343 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -32.02 73.42 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 121.625 -0.672 . . . . 0.0 110.875 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.89 -42.96 66.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -55.05 -53.69 52.64 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.576 0.703 . . . . 0.0 110.184 172.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.08 87.31 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.243 0.544 . . . . 0.0 112.181 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 26.9 tpt180 -65.68 -38.17 88.52 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.56 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.81 -40.19 91.61 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.22 -40.47 96.11 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.938 -0.476 . . . . 0.0 112.07 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -60.33 -43.29 96.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 110.211 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.75 -33.69 66.51 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.459 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -63.58 -26.2 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -98.01 12.82 33.01 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.472 0.654 . . . . 0.0 110.14 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.17 -128.96 2.68 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 116.255 1.262 . . . . 0.0 116.255 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 163.7 32.01 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.705 -0.88 . . . . 0.0 112.587 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.31 -13.02 57.61 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.44 0.638 . . . . 0.0 111.092 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -75.82 105.45 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 168.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.19 -60.85 2.03 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.52 -14.19 60.78 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.723 1.147 . . . . 0.0 110.214 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.21 -19.14 42.9 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 169.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.55 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -56.86 -51.87 67.34 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.014 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.52 -35.19 79.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.61 -46.33 86.26 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.717 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.13 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.882 -0.511 . . . . 0.0 110.787 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.8 t -60.92 -45.11 98.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -57.95 -45.59 86.42 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.229 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.24 -31.12 68.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.898 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.55 71.59 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.41 -32.49 73.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.092 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.029 -0.42 . . . . 0.0 110.58 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -42.34 93.41 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.66 95.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.38 0.61 . . . . 0.0 111.465 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -59.15 -44.78 92.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -39.96 95.53 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.747 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.86 -46.25 90.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.18 -41.81 84.69 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 120.557 0.218 . . . . 0.0 111.083 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.36 -50.71 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -34.15 73.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -74.64 -17.38 60.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.5 p -112.53 0.47 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.2 m -68.33 -1.72 6.91 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 175.808 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 CA-C-O 118.671 -1.071 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -62.73 143.79 96.63 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 118.308 1.054 . . . . 0.0 109.844 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.62 -15.96 37.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 117.968 -0.888 . . . . 0.0 113.022 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.442 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -62.05 -31.99 72.45 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -80.49 -39.31 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -63.41 -37.5 87.52 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 122.054 -0.404 . . . . 0.0 111.531 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.1 2.87 53.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 -37.27 64.51 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -44.51 93.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -74.79 -40.11 61.33 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -57.85 -50.13 74.36 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.379 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.1 ptp -67.44 -36.69 81.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.865 0.757 . . . . 0.0 111.961 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -64.5 -45.51 86.98 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.784 -0.767 . . . . 0.0 110.109 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -65.13 -49.8 68.49 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.402 ' HA ' ' HB2' ' A' ' 76' ' ' ARG . 28.0 ttt -55.07 -49.89 70.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 tpt -64.88 -49.22 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.492 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -63.67 -50.72 68.13 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.325 0.583 . . . . 0.0 111.79 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.09 -26.97 59.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.12 -30.73 55.35 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.239 1.381 . . . . 0.0 111.754 175.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.96 -40.46 96.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.31 97.2 Favored Glycine 0 C--O 1.212 -1.248 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.964 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.8 -42.56 97.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.367 1.083 . . . . 0.0 109.784 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -64.28 -38.33 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -68.15 -20.68 64.91 Favored 'General case' 0 C--O 1.209 -1.038 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.724 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.44 -33.66 60.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.973 0.806 . . . . 0.0 109.055 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.65 -44.15 82.66 Favored 'General case' 0 C--O 1.286 2.991 0 CA-C-O 124.089 1.9 . . . . 0.0 107.764 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -57.75 -39.98 78.63 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 112.37 -2.195 . . . . 0.0 107.089 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -65.04 -36.18 83.52 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.168 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.32 -56.12 21.67 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -70.27 -34.39 72.74 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -69.34 -37.4 77.67 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -51.65 67.59 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.07 80.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 116.62 -2.032 . . . . 0.0 112.223 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.83 -39.05 90.46 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.49 -38.43 87.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.037 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.35 -41.64 96.65 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.96 -40.82 81.52 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.299 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.067 0.848 . . . . 0.0 112.755 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.45 71.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -79.53 -62.77 1.59 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.889 170.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -47.64 -44.6 27.05 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.0 -46.47 6.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.39 -30.55 12.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -167.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.3 mmt-85 62.92 61.89 1.09 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.35 0.66 . . . . 0.0 111.034 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.38 140.47 3.07 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.998 0.428 . . . . 0.0 111.477 172.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.94 -13.96 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.414 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 19.7 pt-20 -113.45 22.77 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -43.8 -39.37 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.79 -21.91 66.03 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' ' 48' ' ' GLU . 41.8 mtmt -114.54 -22.18 9.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.66 -15.24 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -109.16 -124.38 0.26 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 mt 61.72 168.43 0.11 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.547 1.165 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -55.41 -36.22 66.21 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.151 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.96 -59.08 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -35.56 51.55 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 118.844 -1.142 . . . . 0.0 110.898 -175.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.35 -45.8 89.53 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.541 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.64 -37.97 88.05 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.708 -0.62 . . . . 0.0 110.312 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.05 -46.71 80.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.947 -0.701 . . . . 0.0 112.071 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -67.59 -43.65 80.02 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.695 -0.628 . . . . 0.0 110.895 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 pt -70.71 -17.47 20.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 C-N-CA 118.608 -1.237 . . . . 0.0 110.963 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.98 -36.61 48.73 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.74 -48.08 78.47 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.29 -27.04 67.62 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.299 0.571 . . . . 0.0 110.658 177.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -71.2 -32.36 68.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.043 -1.036 . . . . 0.0 110.008 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -66.44 -46.9 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -52.17 -51.3 58.89 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.937 0.399 . . . . 0.0 111.098 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.9 -41.57 98.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.03 -31.16 64.27 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.532 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.29 -36.67 82.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -64.79 -45.63 85.52 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.664 0.745 . . . . 0.0 110.1 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.67 -41.95 96.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.621 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 83.4 mt -74.19 -43.14 58.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.402 ' HB2' ' HA ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -63.99 -21.23 66.41 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 122.473 -0.142 . . . . 0.0 111.232 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -66.28 -16.1 63.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.95 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.08 80.26 1.4 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 116.97 1.548 . . . . 0.0 116.97 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -73.2 -7.84 53.21 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 64.6 -163.28 0.26 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.06 155.61 40.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.248 0.547 . . . . 0.0 112.157 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -79.44 73.95 6.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.781 0.801 . . . . 0.0 112.906 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.54 167.75 8.42 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 169.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -52.23 -27.47 14.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -94.95 -5.77 43.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.928 -0.483 . . . . 0.0 111.734 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -115.48 13.4 16.44 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.273 0.629 . . . . 0.0 110.605 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 8.19 0.53 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.82 -6.47 39.4 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.95 -60.7 2.76 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.73 -16.76 56.83 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.99 -37.68 88.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -71.81 -24.11 61.67 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.29 -36.58 79.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.94 -32.52 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.874 -0.516 . . . . 0.0 109.735 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.16 -33.29 67.61 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.865 -0.522 . . . . 0.0 110.117 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.27 -45.38 98.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -63.56 -25.78 68.4 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.651 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -77.64 -37.08 50.78 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.698 -0.627 . . . . 0.0 110.064 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.39 77.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.337 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -63.95 -36.23 83.28 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.682 -0.636 . . . . 0.0 110.952 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -65.27 -43.02 92.6 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.92 88.02 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.071 0.462 . . . . 0.0 111.356 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -61.72 -39.68 92.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.906 -0.496 . . . . 0.0 110.223 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -67.35 -36.14 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.127 -0.358 . . . . 0.0 110.355 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.57 -50.89 69.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.98 -42.6 85.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.63 -49.11 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -64.69 -32.2 73.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -75.25 -21.98 58.19 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -102.38 -7.64 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -68.42 -23.57 64.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -129.93 118.18 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -150.76 166.55 30.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 O-C-N 124.793 1.308 . . . . 0.0 112.661 -178.743 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 CA-C-O 118.914 -0.937 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -72.6 163.81 64.96 Favored Pre-proline 0 C--O 1.239 0.523 0 CA-C-N 118.155 0.978 . . . . 0.0 108.391 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.41 -31.52 91.44 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 117.386 -1.276 . . . . 0.0 113.032 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.52 -46.46 85.94 Favored 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.649 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.6 -19.45 65.78 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.395 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -80.02 -44.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -61.21 -38.84 88.02 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.781 0.801 . . . . 0.0 110.878 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -98.36 12.19 35.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.321 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -53.55 -42.37 67.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -79.89 -34.07 39.43 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.8 -0.562 . . . . 0.0 109.798 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.0 -48.09 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.8 ptp -69.08 -33.8 74.11 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.55 -45.35 90.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -58.18 9.54 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -48.76 -50.03 35.73 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.82 -39.14 90.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.661 -0.649 . . . . 0.0 112.087 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.33 -39.55 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.55 -22.87 43.28 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.899 -0.721 . . . . 0.0 112.017 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.0 98.19 Favored Glycine 0 C--O 1.208 -1.511 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.73 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.55 -40.48 97.1 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.695 1.248 . . . . 0.0 109.86 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -64.34 -34.58 78.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.05 -20.71 61.63 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 121.776 -0.578 . . . . 0.0 111.542 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.45 -33.17 62.86 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -65.3 -40.27 93.58 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 123.374 1.559 . . . . 0.0 107.164 173.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -65.62 -26.2 67.72 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.242 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -75.87 -34.19 60.02 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 120.661 1.573 . . . . 0.0 110.916 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.13 -56.59 18.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 103.226 -2.879 . . . . 0.0 103.226 170.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -67.39 -35.52 79.48 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -172.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.94 -37.01 78.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.91 -55.12 32.9 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -38.09 88.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 116.9 -1.92 . . . . 0.0 112.697 -179.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.688 -0.633 . . . . 0.0 112.46 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.2 -29.88 66.85 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.31 -0.869 . . . . 0.0 109.764 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.09 -45.15 78.13 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -57.29 -45.51 84.06 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.34 -39.06 91.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.594 0.235 . . . . 0.0 110.89 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.62 77.57 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -73.82 -60.67 2.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 116.927 -1.909 . . . . 0.0 109.078 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.35 -44.48 44.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -96.1 -44.27 7.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -100.53 -3.32 30.93 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -169.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 70.58 -38.58 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p 68.51 145.25 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.632 1.973 . . . . 0.0 113.62 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.22 -21.64 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.35 42.26 1.1 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -51.5 136.38 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 64.39 -4.67 0.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.8 3.91 6.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.967 0.507 . . . . 0.0 112.012 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -38.51 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 -170.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -148.63 -60.99 0.24 Allowed 'General case' 0 C--O 1.241 0.611 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.5 mt 57.41 -173.93 0.08 Allowed 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.819 0.819 . . . . 0.0 109.337 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.04 -42.7 80.97 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.53 -50.45 72.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -78.69 -30.47 46.13 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.081 -1.048 . . . . 0.0 109.747 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.99 -48.73 80.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.18 -40.71 86.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.221 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.37 -36.17 58.28 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.65 -44.24 82.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 pt -74.3 -18.69 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.491 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -69.49 -42.48 74.71 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.25 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.53 70.81 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.985 0.898 . . . . 0.0 111.194 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -73.99 -24.51 59.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.75 -1.219 . . . . 0.0 111.44 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -71.48 -46.87 58.7 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -52.3 -50.65 61.77 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.43 79.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.89 92.86 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.841 0.829 . . . . 0.0 108.936 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -62.53 -36.9 84.05 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.592 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.92 -31.32 67.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.22 -0.3 . . . . 0.0 110.697 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -67.02 -46.17 75.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -63.53 -39.86 95.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.38 -45.76 92.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -33.25 69.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.285 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -79.33 1.78 23.88 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.11 -0.636 . . . . 0.0 112.022 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.5 170.57 54.49 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-O 121.76 0.644 . . . . 0.0 111.901 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 t -134.36 -169.06 2.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.755 -0.85 . . . . 0.0 108.811 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 126.01 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.257 0.223 . . . . 0.0 111.333 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.15 143.58 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.552 1.541 . . . . 0.0 114.317 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.09 71.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.773 0.796 . . . . 0.0 109.244 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -71.41 -174.56 1.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.686 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -51.36 139.93 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 66.46 -10.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -106.28 13.08 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -69.25 7.59 0.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -134.53 8.52 3.63 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 117.594 0.179 . . . . 0.0 110.588 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -54.57 43.11 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.594 0.712 . . . . 0.0 109.785 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.49 -36.02 73.58 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.71 -22.58 64.34 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.5 tp -72.5 -34.69 67.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -73.34 -24.85 60.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.305 -0.872 . . . . 0.0 108.934 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -73.68 -26.11 60.57 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.006 -1.059 . . . . 0.0 110.005 173.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.1 -40.42 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -58.95 -38.58 79.36 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.81 -36.35 75.57 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.18 78.58 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.5 -38.53 91.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.992 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -64.86 -34.22 77.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.732 -0.605 . . . . 0.0 110.831 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -68.11 -40.52 82.53 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.58 89.58 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.772 0.796 . . . . 0.0 110.174 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.71 -43.22 94.2 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.093 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -41.06 95.46 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.12 -0.363 . . . . 0.0 110.543 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.95 -51.62 63.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.94 -42.95 99.2 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.771 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.19 -42.65 95.49 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -66.49 -31.15 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.02 -20.76 51.9 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.0 p -100.86 -4.86 27.02 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -63.93 -27.62 69.27 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -152.46 160.86 43.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -116.24 10.74 14.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 124.61 1.164 . . . . 0.0 111.053 -175.01 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.962 0 CA-C-O 117.876 -1.514 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t 53.62 81.92 0.25 Allowed Pre-proline 0 N--CA 1.478 0.975 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.92 -8.85 10.47 Favored 'Trans proline' 0 C--N 1.35 0.641 0 N-CA-C 115.304 1.232 . . . . 0.0 115.304 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.55 -41.97 86.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.78 -29.38 70.34 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.177 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -78.83 -42.54 27.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.04 -43.54 91.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.592 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.96 6.14 49.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 p -45.51 -44.8 12.87 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 10.5 pttp -47.91 -71.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 57.6 mm-40 -81.01 -22.86 39.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.756 -174.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.494 ' CG ' ' HG1' ' A' ' 79' ' ' THR . 0.9 OUTLIER -64.39 -48.69 74.48 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.6 -36.63 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.777 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.71 -38.17 90.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.01 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.95 -40.67 68.53 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.969 -0.457 . . . . 0.0 109.822 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.41 -40.37 82.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.8 ttt -62.72 -47.97 81.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.714 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -56.16 -51.73 66.92 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.41 0.55 . . . . 0.0 111.162 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -65.24 -38.55 90.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.752 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.9 mt -84.85 -25.24 28.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.28 -36.02 81.9 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.93 -37.46 87.98 Favored Glycine 0 C--O 1.215 -1.051 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.057 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.06 -39.75 95.67 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.266 1.033 . . . . 0.0 108.753 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -66.41 -35.71 80.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.53 -31.46 72.63 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.405 -0.81 . . . . 0.0 110.305 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.858 0.754 . . . . 0.0 110.127 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.56 -46.03 81.04 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 123.613 1.673 . . . . 0.0 107.042 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -64.58 -18.8 65.21 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.733 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -82.02 -34.12 29.73 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 119.562 1.074 . . . . 0.0 109.436 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -46.98 84.6 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 172.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -67.45 -36.71 81.73 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.99 -1.084 . . . . 0.0 113.571 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.27 -40.9 96.93 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.97 -53.11 61.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.941 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -41.46 79.6 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.647 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.53 -44.09 79.19 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 121.128 -0.982 . . . . 0.0 112.291 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -71.7 -31.17 66.45 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.42 -45.91 85.5 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.64 -48.0 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -62.56 -44.58 95.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.275 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.06 76.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.088 0.471 . . . . 0.0 110.07 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.18 2.95 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 118.459 -1.296 . . . . 0.0 108.324 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.48 -37.14 72.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -171.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -90.8 -46.09 8.43 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.438 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -98.2 -37.95 9.49 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 40.05 63.82 1.0 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -58.05 166.08 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.649 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.04 -23.38 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.7 -14.87 63.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -41.82 -35.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -171.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -55.97 -34.7 65.96 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.213 -0.304 . . . . 0.0 111.729 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -137.47 19.14 2.91 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.44 -15.97 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -134.49 -121.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.009 -0.432 . . . . 0.0 109.903 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.3 mt 62.06 177.37 0.13 Allowed 'General case' 0 C--O 1.244 0.781 0 CA-C-O 122.295 1.045 . . . . 0.0 110.853 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.32 -38.47 63.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.116 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -65.2 -54.9 22.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -30.21 66.36 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.972 -177.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -51.12 71.32 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 122.052 0.929 . . . . 0.0 109.432 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.34 -36.29 83.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.239 -0.913 . . . . 0.0 111.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.07 -38.91 72.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.41 -42.79 64.73 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.69 -31.26 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 174.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.41 -32.44 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.881 -1.137 . . . . 0.0 110.62 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.59 -45.26 72.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.34 75.25 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.834 0.826 . . . . 0.0 110.138 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -64.47 -34.69 78.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.772 -0.58 . . . . 0.0 110.679 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -66.28 -48.61 69.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.94 -48.86 72.61 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.576 0.703 . . . . 0.0 110.232 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.97 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -43.1 97.14 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.676 -0.64 . . . . 0.0 109.517 178.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -60.52 -38.59 84.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.11 -31.18 65.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.16 -0.337 . . . . 0.0 111.731 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.9 -41.85 74.16 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.991 -0.443 . . . . 0.0 110.046 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -63.31 -40.7 98.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.37 -45.84 92.69 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.343 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -41.47 78.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.932 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.34 -5.16 30.42 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.55 -160.56 13.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.494 ' HG1' ' CG ' ' A' ' 12' ' ' HIS . 15.2 t -155.38 -163.38 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.36 1.62 1.07 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -149.03 166.27 29.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -83.37 70.37 10.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.883 1.325 . . . . 0.0 110.672 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.45 165.52 2.79 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 113.04 -1.891 . . . . 0.0 111.045 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.7 m 52.29 26.43 4.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.757 0.823 . . . . 0.0 112.951 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 57.29 30.82 19.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.283 0.633 . . . . 0.0 110.671 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.443 ' C ' ' H ' ' A' ' 88' ' ' TYR . 47.7 mt-30 -80.77 58.12 3.22 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -74.71 26.77 0.09 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.417 1.087 . . . . 0.0 113.197 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.443 ' H ' ' C ' ' A' ' 86' ' ' GLN . 46.3 p90 -136.07 5.24 3.03 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.78 76.25 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.917 -0.489 . . . . 0.0 111.22 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.69 -17.63 61.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.417 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.97 -29.84 65.95 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.17 -32.79 74.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -40.27 83.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.006 0.432 . . . . 0.0 110.041 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.86 -34.96 78.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -76.93 -17.27 59.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.85 -42.4 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.0 -39.33 89.29 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.13 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.28 -44.31 83.93 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.047 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.37 76.28 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.07 -45.92 89.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -64.11 -33.72 76.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.955 -0.466 . . . . 0.0 111.406 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -67.43 -38.47 84.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.07 81.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.31 -49.12 77.13 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.08 -32.28 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.503 . . . . 0.0 111.834 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.61 -42.73 77.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.37 -34.95 79.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.7 -49.55 77.17 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -61.89 -31.02 71.27 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -78.04 -16.94 57.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 p -108.95 1.63 20.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 m -70.71 13.69 0.17 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.905 1.816 . . . . 0.0 115.905 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.31 156.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -144.88 152.39 40.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 103.339 -2.837 . . . . 0.0 103.339 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.15 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -145.54 166.95 15.62 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.01 -33.92 90.81 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 116.156 -2.096 . . . . 0.0 113.424 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 55.49 -177.09 0.04 OUTLIER 'General case' 0 C--O 1.243 0.75 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -60.93 -27.97 68.6 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.699 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -75.43 -40.45 57.62 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.579 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -80.84 -9.33 59.83 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 118.133 -1.427 . . . . 0.0 108.973 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.13 -20.02 38.87 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -57.54 -33.78 68.47 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -55.84 -56.39 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.027 0.441 . . . . 0.0 111.505 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -79.29 -37.62 37.31 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.462 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.0 -53.74 51.96 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.9 mmm -67.68 -41.82 83.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.551 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -62.98 -47.83 81.46 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.39 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.66 -49.77 61.17 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.5 ttp -56.97 -38.94 73.71 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.07 -48.07 81.86 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.952 -0.467 . . . . 0.0 110.801 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -72.04 -33.74 68.24 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.075 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.22 -28.15 66.99 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -83.74 -23.23 31.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.71 -0.619 . . . . 0.0 112.348 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.87 -41.33 97.78 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.65 82.13 Favored Glycine 0 C--O 1.209 -1.432 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.585 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.77 -37.92 87.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.827 1.314 . . . . 0.0 109.168 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -67.69 -37.73 82.72 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -60.8 -30.89 70.33 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.351 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.57 64.11 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.687 -0.633 . . . . 0.0 110.635 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.55 -44.4 74.59 Favored 'General case' 0 C--O 1.268 2.078 0 CA-C-O 124.311 2.005 . . . . 0.0 106.966 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.02 -19.34 65.82 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.171 -1.832 . . . . 0.0 109.211 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -83.54 -26.6 29.98 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 119.723 1.147 . . . . 0.0 109.545 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -59.75 -55.85 29.1 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 101.519 -3.512 . . . . 0.0 101.519 170.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.85 -41.3 87.61 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -173.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.12 -38.31 85.9 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.29 -41.81 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.043 -0.979 . . . . 0.0 111.54 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -39.88 88.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 117.2 -1.8 . . . . 0.0 110.832 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.8 -35.25 80.5 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.642 -1.223 . . . . 0.0 109.646 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.73 -44.18 94.3 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.72 -48.8 79.92 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -57.35 -51.97 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.648 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.76 -29.58 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.96 92.9 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -69.16 -60.12 2.56 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 117.763 -1.575 . . . . 0.0 108.031 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -48.3 -42.52 31.19 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -95.98 -46.39 6.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -99.63 -38.01 8.9 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -167.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 33.85 49.82 0.29 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -60.9 176.42 0.4 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 115.073 1.508 . . . . 0.0 115.073 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.55 -12.68 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.114 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.57 13.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.752 -0.592 . . . . 0.0 111.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -48.87 -33.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -22.1 66.59 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.981 -0.449 . . . . 0.0 111.842 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -105.61 -25.36 12.3 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.403 0.681 . . . . 0.0 111.112 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 50.2 t -65.05 -13.55 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.403 0.681 . . . . 0.0 111.477 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -49.18 123.9 8.08 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -49.92 -52.79 30.54 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -60.71 -43.96 97.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.356 0.598 . . . . 0.0 110.852 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.5 -48.94 70.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.368 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -44.4 90.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.644 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.97 -48.3 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -56.53 -49.99 73.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.297 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -39.75 74.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.4 -44.8 67.22 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.878 -0.514 . . . . 0.0 111.412 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.1 pt -74.52 -17.57 16.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.981 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -74.6 -33.82 62.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.61 -47.16 70.47 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.31 -30.69 70.65 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.539 0.685 . . . . 0.0 110.042 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -66.35 -32.22 73.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.342 -0.849 . . . . 0.0 110.766 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -47.92 67.63 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -53.82 -49.94 67.27 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 110.601 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.27 89.71 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -62.93 -42.09 99.69 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.11 -44.4 96.73 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.03 -24.88 65.14 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 122.191 -0.318 . . . . 0.0 110.682 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -73.17 -43.48 61.4 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -40.47 96.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.28 -40.67 94.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -19.2 46.83 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -58.43 -20.35 44.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.729 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.99 27.89 71.42 Favored Glycine 0 CA--C 1.508 -0.397 0 N-CA-C 117.408 1.723 . . . . 0.0 117.408 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -65.92 113.79 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.14 4.45 10.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -149.72 135.88 18.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.96 55.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.8 0.81 . . . . 0.0 111.254 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -63.26 147.31 51.38 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -24.0 -46.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 120.79 3.626 . . . . 0.0 120.79 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -59.79 -40.74 89.29 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 118.912 0.778 . . . . 0.0 111.092 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -125.13 52.61 1.58 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -19.02 65.67 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -91.7 10.71 27.16 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.403 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.68 17.95 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.69 -16.81 60.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.949 -1.094 . . . . 0.0 109.717 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.43 -24.77 67.74 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 172.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.22 -23.45 62.02 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 120.807 -1.183 . . . . 0.0 109.942 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -77.47 -29.62 52.8 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.98 -40.21 91.02 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 173.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -33.95 77.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.847 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.04 -42.7 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -63.42 -35.23 79.72 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.068 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -72.48 -33.85 67.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.669 0.668 . . . . 0.0 110.58 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.68 87.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -39.65 95.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.181 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -65.07 -35.96 82.82 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.824 -0.548 . . . . 0.0 110.468 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.66 -45.25 94.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.66 98.43 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.942 0.401 . . . . 0.0 110.397 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.1 -41.97 99.48 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.46 0.647 . . . . 0.0 111.471 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -67.98 -32.45 72.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.555 0.693 . . . . 0.0 110.335 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.18 -36.29 74.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.68 -42.52 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -57.26 -49.84 74.77 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.0 p -65.18 -29.05 69.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.542 0.687 . . . . 0.0 112.163 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -11.25 59.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.136 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 p -128.06 12.09 6.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 m -66.8 -5.53 12.58 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -155.6 -177.18 6.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -136.66 169.28 17.97 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 123.641 0.776 . . . . 0.0 108.957 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.964 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.428 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 118.757 -1.024 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m 50.42 60.35 15.1 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -70.04 -39.99 5.38 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 114.612 -3.126 . . . . 0.0 110.628 172.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.34 -170.25 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -51.66 -34.89 40.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -58.61 -58.36 8.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -79.39 -10.06 59.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.186 -0.947 . . . . 0.0 111.038 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.9 m-30 -86.98 -18.64 30.21 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.943 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -45.65 -36.95 5.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -172.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -63.0 1.28 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -82.84 -28.27 30.26 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -56.29 -51.51 67.92 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -40.56 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.722 -0.611 . . . . 0.0 111.434 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -61.19 -48.68 80.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.197 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -69.56 -42.6 74.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.05 -40.21 84.44 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttt -62.66 -51.65 66.41 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -39.76 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.086 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.18 -36.15 74.45 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.91 -0.494 . . . . 0.0 111.775 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.33 -26.32 38.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.55 -35.48 81.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.51 89.69 Favored Glycine 0 C--O 1.216 -1.019 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.1 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.05 -40.53 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.888 0.844 . . . . 0.0 109.244 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.56 -39.74 95.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -62.52 -28.87 70.15 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.638 -0.664 . . . . 0.0 110.498 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.56 68.03 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.915 0.779 . . . . 0.0 110.612 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.06 -41.73 85.96 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 124.052 1.882 . . . . 0.0 106.952 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.59 -18.13 65.2 Favored 'General case' 0 C--O 1.2 -1.502 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.834 175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -81.08 -35.57 31.55 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.271 0.942 . . . . 0.0 111.101 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -43.08 89.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 172.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -64.55 -36.79 85.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 118.851 -1.14 . . . . 0.0 113.589 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -46.07 91.03 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.36 -49.91 74.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.597 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -40.8 81.18 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.988 -1.485 . . . . 0.0 113.125 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -49.93 71.59 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 110.588 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -70.54 -27.18 63.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.736 -176.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -57.13 -43.82 82.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.46 -40.68 89.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.583 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.69 74.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.9 -61.88 1.72 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 117.445 -1.702 . . . . 0.0 107.305 172.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.88 -38.44 49.61 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -173.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -95.78 -46.5 6.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -101.11 -19.11 15.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -169.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 40.47 44.54 1.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.5 t -47.67 140.29 6.4 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' C ' ' H ' ' A' ' 49' ' ' VAL . 6.3 p -64.44 -6.72 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.053 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -71.75 6.42 1.98 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.59 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.465 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 12.9 p -47.68 -35.6 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.261 0.624 . . . . 0.0 112.662 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -22.57 67.02 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -101.69 -27.78 12.86 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 17.3 t -70.73 -13.13 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.083 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -41.35 123.8 2.2 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.753 1.263 . . . . 0.0 113.164 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -36.1 -58.28 0.67 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 119.85 3.278 . . . . 0.0 119.85 -166.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.82 -54.18 49.85 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 118.812 0.733 . . . . 0.0 112.729 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.81 -47.72 82.24 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -57.9 -50.02 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.307 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 mt -59.17 -49.31 78.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -60.92 -39.68 90.3 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.379 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -45.3 51.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.58 -44.03 75.25 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.743 0.783 . . . . 0.0 110.357 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.6 mt -63.12 -32.3 55.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -68.38 -32.25 72.19 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.057 -1.027 . . . . 0.0 111.653 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.09 -46.79 66.89 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.92 73.24 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.608 0.718 . . . . 0.0 110.989 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -63.72 -37.59 87.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.862 -0.524 . . . . 0.0 109.724 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.1 -46.78 75.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.204 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.07 -41.54 99.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.55 -37.87 87.84 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.203 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.89 -27.58 62.94 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.971 -0.456 . . . . 0.0 109.99 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.64 -46.39 47.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.07 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.31 -32.82 74.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.276 -0.89 . . . . 0.0 108.983 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.75 -49.81 74.91 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.544 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -13.67 62.23 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -98.08 -0.01 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.996 0.427 . . . . 0.0 110.72 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.19 17.34 19.45 Favored Glycine 0 CA--C 1.52 0.406 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.249 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 78.7 p -66.91 129.56 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 50.17 38.0 16.09 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.244 1.021 . . . . 0.0 109.943 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -117.25 -84.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.282 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 46.72 31.51 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.808 0.813 . . . . 0.0 113.097 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -70.41 174.38 5.78 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -50.14 -18.75 0.62 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -122.42 8.52 9.62 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.708 0.685 . . . . 0.0 111.061 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.427 ' C ' ' H ' ' A' ' 88' ' ' TYR . 26.7 mp0 -129.31 12.82 6.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 21.37 0.1 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.427 ' H ' ' C ' ' A' ' 86' ' ' GLN . 32.2 p90 -123.97 9.34 8.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -176.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.94 -56.52 12.77 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.97 -22.44 64.1 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.613 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -63.65 -38.62 91.8 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 173.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.57 -25.57 67.48 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.503 -0.748 . . . . 0.0 110.109 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.02 -36.11 72.28 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 121.648 -0.658 . . . . 0.0 109.355 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.69 -41.19 98.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -69.2 -25.04 64.13 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.538 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.57 -40.37 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.2 ttm105 -60.02 -41.58 92.5 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.33 -31.07 69.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.275 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.71 -47.28 75.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.51 -40.64 97.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.484 0.659 . . . . 0.0 110.294 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.64 -38.6 85.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -67.24 -39.75 86.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.98 67.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.099 0.476 . . . . 0.0 110.7 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.18 -33.41 75.41 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -77.5 -23.98 50.17 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.926 -1.109 . . . . 0.0 111.731 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.25 -42.0 80.31 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -41.91 90.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.389 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -57.27 -50.93 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.9 p -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -77.97 -20.25 53.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.911 -0.493 . . . . 0.0 111.324 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -104.89 0.25 27.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.911 0.386 . . . . 0.0 111.857 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -73.02 9.85 1.08 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -120.95 142.7 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -154.01 44.41 0.57 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.215 0.531 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.501 -0.761 . . . . 0.0 110.843 -177.661 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 CA-C-O 118.82 -0.989 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -66.9 -51.07 40.08 Favored Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.93 148.99 65.2 Favored 'Trans proline' 0 C--N 1.357 0.997 1 C-N-CA 113.252 -4.032 . . . . 0.0 112.184 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -55.89 -36.6 67.82 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -57.41 -34.47 68.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.407 . . . . 0.0 112.039 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -95.63 -28.62 14.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -59.7 -41.67 91.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -86.88 -14.98 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.2 p -60.24 -27.49 67.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -61.66 -55.41 30.78 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.35 -27.57 34.87 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.362 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -62.27 -51.37 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 tpt -65.28 -38.95 91.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.46 -43.24 97.11 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.62 -47.11 76.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 82.9 mtp -55.69 -48.21 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.747 0.308 . . . . 0.0 110.279 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -63.12 -54.19 41.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.235 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -58.41 -46.68 85.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 0.0 111.699 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -74.64 -21.71 59.3 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.329 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 mt -80.64 -29.43 36.74 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.149 -0.969 . . . . 0.0 111.73 173.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -65.25 -39.29 92.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.13 -40.11 97.78 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.308 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.32 -39.84 94.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.104 0.952 . . . . 0.0 108.848 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -66.42 -35.56 80.61 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.654 -0.654 . . . . 0.0 110.105 176.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -63.61 -33.39 75.51 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.97 83.81 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.493 -0.754 . . . . 0.0 110.794 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.97 -43.26 96.31 Favored 'General case' 0 C--O 1.276 2.483 0 CA-C-O 123.693 1.711 . . . . 0.0 108.652 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -58.22 -40.74 82.44 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.379 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.4 -30.4 69.31 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 119.115 0.87 . . . . 0.0 112.615 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.36 -60.58 3.56 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 173.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.14 -26.58 42.78 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -170.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.27 -29.8 57.58 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.5 -37.89 74.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.447 HE21 ' CG2' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.71 -57.5 10.61 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.526 173.173 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.04 -42.8 99.56 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.465 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -63.6 -41.49 98.31 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 122.082 -0.386 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.53 -46.48 85.83 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -59.95 -43.38 95.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.623 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -71.11 -35.96 71.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.636 0.653 . . . . 0.0 112.188 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.15 86.18 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -59.13 3.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.71 -1.196 . . . . 0.0 108.006 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -46.96 -45.05 20.57 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -95.99 -46.35 6.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -101.16 -22.52 14.66 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -168.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.23 54.09 0.99 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -41.53 156.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.56 -18.12 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.258 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -81.92 18.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.146 -0.346 . . . . 0.0 111.778 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -53.72 -33.55 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.11 -39.54 86.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -70.61 -35.87 73.2 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.25 -14.27 15.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -38.39 105.0 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.156 1.455 . . . . 0.0 114.458 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.1 mt -40.35 -51.11 2.82 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -164.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.52 -65.72 0.61 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.826 1.194 . . . . 0.0 112.158 -174.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -65.15 -42.41 93.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -57.93 -56.27 24.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.579 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.79 -37.32 87.2 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.809 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.11 -46.86 88.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.578 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.32 -35.14 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.031 0.443 . . . . 0.0 111.155 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -56.53 19.73 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 123.575 0.75 . . . . 0.0 109.907 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' CG2' HE21 ' A' ' 34' ' ' GLN . 16.2 pt -68.32 -19.53 24.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.377 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -75.99 -32.77 59.61 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 119.295 0.952 . . . . 0.0 108.664 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.84 -45.89 66.82 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.48 77.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.741 0.781 . . . . 0.0 109.637 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.63 -32.88 74.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.901 0.48 . . . . 0.0 111.193 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -65.43 -50.71 64.4 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -53.26 -47.07 69.41 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.982 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.68 91.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.49 -41.76 98.55 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.85 -43.81 97.84 Favored 'General case' 0 C--O 1.206 -1.197 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.06 -33.57 76.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.393 . . . . 0.0 110.498 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -66.04 -43.77 86.56 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.925 -0.484 . . . . 0.0 110.347 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.31 -30.71 65.04 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.641 -0.662 . . . . 0.0 110.794 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -39.13 82.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -60.05 -36.85 78.23 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -79.75 5.44 13.47 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.81 179.37 45.73 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -148.02 -175.06 4.74 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.288 -1.125 . . . . 0.0 110.978 -176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.52 -21.44 60.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -135.16 120.01 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.6 -47.61 76.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 58.74 162.74 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.172 0.987 . . . . 0.0 111.298 -171.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -52.1 -29.18 20.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -68.28 -38.64 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -121.13 31.31 6.42 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.947 -171.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -15.89 2.25 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -102.83 3.42 36.65 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.87 68.54 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.848 1.658 . . . . 0.0 111.994 -174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -68.57 -22.94 64.44 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.072 -1.017 . . . . 0.0 110.848 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.27 -36.05 71.58 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.31 -21.19 61.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.8 tp -74.22 -33.53 63.4 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -64.28 -39.01 93.07 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -71.07 -20.87 62.31 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.875 -0.516 . . . . 0.0 112.347 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -69.27 -42.04 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 171.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -63.83 -33.78 76.44 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.25 -46.8 79.11 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 117.965 0.348 . . . . 0.0 110.178 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.42 69.37 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.549 0.69 . . . . 0.0 109.249 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.69 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -64.42 -32.79 74.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.831 -0.543 . . . . 0.0 111.475 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -64.32 -44.78 90.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.91 91.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.68 0.752 . . . . 0.0 110.525 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.12 -49.18 78.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.932 -0.48 . . . . 0.0 110.719 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.81 -44.0 97.3 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.151 0.501 . . . . 0.0 110.503 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -58.37 -46.28 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.4 p -67.18 -27.07 66.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.841 -0.537 . . . . 0.0 112.063 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.47 -15.19 59.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.197 -0.314 . . . . 0.0 110.648 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 p -111.55 -14.37 13.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.7 m -60.49 -50.55 73.1 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 -174.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -161.59 149.31 14.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.38 -56.94 1.23 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 116.178 -1.868 . . . . 0.0 106.205 -177.615 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -69.69 164.76 47.79 Favored Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -56.25 -37.12 97.25 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 116.693 -1.738 . . . . 0.0 113.85 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.15 -47.9 80.73 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.96 -37.38 79.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.895 0.379 . . . . 0.0 110.513 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -63.83 -36.84 85.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.594 0.711 . . . . 0.0 109.153 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -87.01 12.16 11.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -57.62 -34.92 69.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -39.48 92.28 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.659 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.18 -29.73 26.37 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -57.9 -46.03 85.57 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.46 -43.24 81.53 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.606 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.75 -47.15 86.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -74.71 -30.14 61.43 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 ttp -59.91 -44.11 94.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.79 -49.38 76.58 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.506 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -59.46 -53.68 55.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.492 0.663 . . . . 0.0 111.943 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -88.15 -15.23 36.63 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -167.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -85.71 -30.68 22.95 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.207 -1.397 . . . . 0.0 108.798 170.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.27 -35.6 80.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.482 -2.414 . . . . 0.0 104.482 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.51 -37.79 94.89 Favored Glycine 0 C--O 1.213 -1.171 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.103 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.59 -41.39 96.27 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.157 0.978 . . . . 0.0 108.48 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.95 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -26.58 67.53 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.996 174.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.59 64.92 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -64.35 -45.1 89.28 Favored 'General case' 0 C--O 1.271 2.192 0 CA-C-O 124.286 1.993 . . . . 0.0 108.016 173.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -65.28 -18.75 65.56 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.483 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 p -77.17 -39.11 50.13 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 119.549 1.068 . . . . 0.0 108.972 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -54.12 -56.32 19.21 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 102.585 -3.117 . . . . 0.0 102.585 173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -67.18 -35.35 79.46 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.3 -36.05 82.88 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.041 0.837 . . . . 0.0 109.09 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -49.9 65.15 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -36.6 84.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.055 -1.858 . . . . 0.0 111.622 178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.37 -44.07 95.82 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.138 0.881 . . . . 0.0 111.078 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.769 -0.582 . . . . 0.0 109.937 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.8 -47.17 75.97 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -61.24 -42.42 98.59 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.83 -40.0 91.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.893 0.315 . . . . 0.0 111.032 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.07 97.4 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.41 -58.8 5.44 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 117.871 -1.532 . . . . 0.0 110.526 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -51.95 -44.06 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -172.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.7 -46.56 8.91 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.431 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.52 -38.08 8.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -172.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 28.95 54.56 0.1 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.431 1.082 . . . . 0.0 111.946 -176.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -77.13 -128.73 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.386 -171.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.6 m -60.88 -13.43 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 120.61 -1.306 . . . . 0.0 109.609 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.07 -33.72 72.45 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.645 1.178 . . . . 0.0 112.204 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.07 -25.46 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.502 0.592 . . . . 0.0 111.572 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -97.65 -8.15 29.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.251 -0.281 . . . . 0.0 111.592 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -135.23 1.67 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -50.62 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.208 0.913 . . . . 0.0 113.201 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.6 m80 49.68 53.03 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -39.72 -44.98 1.64 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.15 -48.38 78.69 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.471 -0.768 . . . . 0.0 110.005 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.65 -43.98 97.43 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -58.91 -56.48 21.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.689 0.618 . . . . 0.0 111.369 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.33 -47.37 85.64 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.43 -32.4 74.01 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 119.82 -0.752 . . . . 0.0 112.035 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.66 -46.59 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 119.099 0.863 . . . . 0.0 111.802 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -62.61 -43.88 97.69 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.7 pt -73.24 -17.64 17.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 120.857 -1.152 . . . . 0.0 113.637 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -73.45 -35.57 65.76 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.91 -43.57 74.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.66 73.95 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.803 0.811 . . . . 0.0 109.994 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.58 -30.71 71.74 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 121.589 -0.695 . . . . 0.0 110.373 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -70.59 -46.37 63.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.77 -53.11 56.91 Favored 'General case' 0 C--O 1.25 1.094 0 CA-C-O 121.517 0.675 . . . . 0.0 110.269 172.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.26 -38.3 76.67 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -64.3 -38.52 91.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.977 -0.452 . . . . 0.0 110.099 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -69.47 -39.32 77.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.46 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.07 -38.45 91.1 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.027 0.918 . . . . 0.0 108.806 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -65.66 -47.96 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.221 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.89 -31.5 72.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.901 -0.499 . . . . 0.0 110.121 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.52 -43.67 89.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -59.95 -30.52 69.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -79.18 -5.62 54.66 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 122.004 -0.435 . . . . 0.0 111.156 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.11 -156.55 10.31 Favored Glycine 0 CA--C 1.521 0.419 0 CA-C-O 121.827 0.681 . . . . 0.0 113.577 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -165.35 -167.19 1.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.17 4.51 0.33 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -82.08 84.66 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -85.93 31.5 0.62 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.359 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -68.07 157.38 35.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -29.59 -41.1 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 120.15 3.389 . . . . 0.0 120.15 -175.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -66.73 -30.63 70.91 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.486 ' C ' ' H ' ' A' ' 88' ' ' TYR . 82.6 mt-30 -132.31 41.48 3.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 10.99 0.08 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.486 ' H ' ' C ' ' A' ' 86' ' ' GLN . 3.5 p90 -116.53 25.05 10.87 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 123.374 0.669 . . . . 0.0 111.867 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.61 -56.84 12.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.806 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.82 -16.84 59.32 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.752 -1.218 . . . . 0.0 109.994 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.66 -19.87 43.16 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.76 -51.93 67.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.97 -41.33 97.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.822 0.344 . . . . 0.0 110.216 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.64 -39.32 91.31 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.263 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.02 -34.31 64.08 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.611 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.15 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -56.45 -50.17 72.48 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.35 -27.92 59.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.35 -55.22 22.63 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.55 -43.22 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.991 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -62.85 -38.82 92.34 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -64.32 -46.7 82.41 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.62 80.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.509 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.15 -48.4 78.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.174 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -62.84 -40.58 97.87 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.55 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.49 -50.22 64.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 12.0 mt -60.59 -43.52 97.29 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.44 -53.19 61.1 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -57.45 -43.42 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.41 -20.69 50.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.534 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 -7.17 54.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.8 m -67.06 -24.08 65.94 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -77.37 113.78 15.51 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.12 133.61 56.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.638 0 N-CA-C 103.696 -2.705 . . . . 0.0 103.696 175.1 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.37 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -31.35 2.4 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 120.854 3.65 . . . . 0.0 120.854 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -71.81 162.73 41.11 Favored 'Trans proline' 0 C--N 1.358 1.079 0 C-N-CA 114.819 -2.987 . . . . 0.0 116.382 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -54.48 -40.42 68.45 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.08 -35.15 76.21 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.518 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.01 -37.78 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.314 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -86.98 -6.3 58.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -56.55 -32.62 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -59.39 -56.44 22.05 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -77.34 -32.76 55.36 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.966 -0.459 . . . . 0.0 109.824 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -58.92 -49.0 79.48 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 117.972 0.351 . . . . 0.0 110.099 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.9 mmm -69.31 -38.56 78.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.772 -0.58 . . . . 0.0 110.858 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.81 -43.57 98.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.72 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.76 -46.41 78.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.558 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 10.6 ttt -55.8 -46.09 78.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.932 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtm -66.06 -42.24 89.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.065 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.09 -42.32 94.18 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.123 0.487 . . . . 0.0 111.362 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.04 -24.35 43.66 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.2 mt -79.4 -27.07 41.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.262 -0.899 . . . . 0.0 110.669 174.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.23 -44.88 95.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 170.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -38.97 95.69 Favored Glycine 0 C--O 1.209 -1.418 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.361 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.38 -41.86 93.31 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.406 1.103 . . . . 0.0 110.22 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.46 -35.25 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.31 -20.57 60.77 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.31 65.81 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.65 -41.36 88.37 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 123.4 1.571 . . . . 0.0 107.039 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -60.08 -34.75 73.88 Favored 'General case' 0 C--O 1.192 -1.956 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.553 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 p -68.6 -41.74 79.14 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 120.086 1.312 . . . . 0.0 112.115 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -50.71 72.78 Favored 'General case' 0 C--O 1.269 2.09 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -69.42 -29.39 67.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 117.434 -1.706 . . . . 0.0 115.319 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -70.08 -34.8 73.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.64 -47.9 83.29 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -34.4 69.09 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 116.747 -1.981 . . . . 0.0 114.379 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.34 -43.23 91.56 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.868 -1.145 . . . . 0.0 109.148 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.67 -19.8 62.03 Favored 'General case' 0 C--O 1.199 -1.595 0 O-C-N 121.48 -0.762 . . . . 0.0 109.698 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 1.7 tp -69.15 -44.77 71.63 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-N 119.68 1.127 . . . . 0.0 108.196 169.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -43.91 76.73 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.9 -36.17 72.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.9 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -83.19 -63.83 1.28 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 115.197 -2.601 . . . . 0.0 109.084 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -60.41 -40.65 91.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -96.02 -36.49 11.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.506 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -96.79 -37.67 10.18 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.694 2.479 . . . . 0.0 117.694 -170.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 46.73 54.96 8.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.519 0.676 . . . . 0.0 111.917 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -62.83 169.96 2.91 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.416 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 m -57.67 -26.34 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.06 19.44 18.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.9 -27.71 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.58 -29.41 70.01 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.236 0.541 . . . . 0.0 111.822 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -149.1 34.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -53.4 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 16.6 m170 -124.16 -60.19 1.44 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 111.294 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tp 61.29 -179.55 0.11 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.143 -174.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.35 80.1 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.194 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.326 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.299 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.24 -46.7 85.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.225 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -59.46 -39.73 84.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.887 -0.508 . . . . 0.0 110.026 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -72.66 -41.52 65.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.22 -41.26 77.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 109.814 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.1 pt -73.31 -17.61 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 118.341 -1.343 . . . . 0.0 110.209 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.37 -30.67 57.66 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 171.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.5 tp -67.63 -43.79 79.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 173.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.42 87.42 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.822 0.82 . . . . 0.0 110.528 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -65.4 -31.04 71.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.067 -1.021 . . . . 0.0 109.698 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -48.69 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -51.94 -45.06 64.19 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 122.362 -0.212 . . . . 0.0 110.722 171.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.07 86.8 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.84 -42.78 99.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.56 88.39 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -74.32 -24.09 59.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.984 -0.448 . . . . 0.0 111.31 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -43.94 63.95 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -63.05 -42.0 99.6 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.43 -42.99 95.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.538 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -16.86 63.57 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.559 -0.713 . . . . 0.0 110.931 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -97.75 7.49 46.31 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.086 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.01 152.56 50.31 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-O 122.227 0.904 . . . . 0.0 114.397 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 p -85.53 167.17 15.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -60.33 -29.72 69.06 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.468 0.651 . . . . 0.0 111.024 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 128.6 22.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -86.18 35.56 0.65 Allowed 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -66.8 -176.76 0.53 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.222 -0.924 . . . . 0.0 111.964 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m 43.51 63.4 1.56 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 68.31 -12.0 0.36 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -71.53 4.72 2.84 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -176.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -23.08 29.47 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.844 0.747 . . . . 0.0 111.85 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -61.24 -12.28 12.61 Favored 'General case' 0 C--O 1.206 -1.234 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.71 -56.43 9.31 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 119.272 0.942 . . . . 0.0 110.632 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -71.69 -18.01 62.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.91 -1.119 . . . . 0.0 108.812 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.72 -30.52 69.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.12 -26.65 67.55 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.3 tp -73.89 -35.24 64.67 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.335 -0.853 . . . . 0.0 109.635 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.69 -38.23 90.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.79 -31.52 69.49 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.436 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.18 -45.59 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -59.79 -42.11 92.67 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.72 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -71.75 -29.14 64.19 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.877 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.77 66.02 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -42.11 98.6 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.182 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -63.99 -34.53 78.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.21 0.529 . . . . 0.0 111.744 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -65.77 -42.56 90.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.79 98.63 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 123.28 0.362 . . . . 0.0 110.168 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.87 -50.84 69.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.517 0.675 . . . . 0.0 111.18 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.15 -53.81 50.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.14 -35.23 76.52 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.9 -50.9 71.53 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -60.49 -36.17 77.69 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -78.09 -20.59 51.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.294 0.568 . . . . 0.0 110.072 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.4 p -103.46 5.67 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.3 m -62.44 -11.93 18.83 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.4 t90 66.42 158.51 0.12 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -153.05 -47.31 0.1 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.119 -0.943 . . . . 0.0 112.485 -178.399 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 CA-C-O 119.002 -0.888 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -70.73 146.72 93.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 117.768 0.784 . . . . 0.0 109.785 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.64 -37.35 58.07 Favored 'Trans proline' 0 C--N 1.353 0.775 0 N-CA-C 113.627 0.587 . . . . 0.0 113.627 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 55.51 -177.71 0.04 OUTLIER 'General case' 0 C--O 1.245 0.833 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -53.54 -32.18 49.52 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.154 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -54.38 -61.68 2.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.803 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -77.13 -9.52 58.8 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.415 -0.803 . . . . 0.0 112.283 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -21.06 28.22 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.912 0.863 . . . . 0.0 109.884 176.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -59.99 -39.46 85.82 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HD3' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -59.78 -45.75 91.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.166 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 45.3 mm-40 -82.78 -31.51 28.23 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -177.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -63.13 -43.33 98.69 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.536 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.28 -39.13 93.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.982 -0.449 . . . . 0.0 109.948 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.71 -43.55 93.09 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.677 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -63.11 -51.23 67.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -64.76 -26.45 68.36 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.305 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.3 ttp -63.87 -44.95 91.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -66.52 -50.17 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.137 0.97 . . . . 0.0 110.366 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.06 -34.02 77.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.263 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -88.99 -27.51 20.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.407 -0.808 . . . . 0.0 112.99 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.94 -35.0 74.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 173.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.45 91.15 Favored Glycine 0 C--O 1.211 -1.34 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.7 -46.46 88.05 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.858 0.837 . . . . 0.0 108.973 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -66.15 -35.74 81.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -66.71 -26.79 67.18 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.832 -0.542 . . . . 0.0 111.347 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.0 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -68.14 -41.46 81.58 Favored 'General case' 0 C--O 1.272 2.246 0 CA-C-O 123.665 1.698 . . . . 0.0 108.874 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -62.7 -33.45 75.13 Favored 'General case' 0 C--O 1.194 -1.84 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.365 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 p -68.57 -43.65 76.11 Favored 'General case' 0 C--O 1.203 -1.372 0 CA-C-N 119.174 0.897 . . . . 0.0 111.817 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -46.49 89.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -73.34 -24.32 60.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 116.206 -2.197 . . . . 0.0 115.021 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.58 -40.21 76.88 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -49.13 75.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.4 -57.35 13.15 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.864 -1.135 . . . . 0.0 113.382 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.17 -43.82 97.2 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -73.45 -34.53 65.45 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.109 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.13 -37.97 72.3 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.423 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -57.07 -42.61 80.97 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -71.21 -35.1 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.57 82.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -67.77 -59.06 3.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 171.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.06 -50.14 11.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.44 -40.96 8.43 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -97.85 -6.21 32.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 71.26 -34.66 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m 69.96 126.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.884 1.365 . . . . 0.0 109.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.15 -35.7 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.47 46.0 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.753 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.28 -28.32 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.35 -27.29 67.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.769 -0.582 . . . . 0.0 112.428 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.14 45.01 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.009 -171.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -44.4 -44.25 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.134 0.574 . . . . 0.0 112.478 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' HD1' ' HB2' ' A' ' 58' ' ' LEU . 12.0 p80 -150.8 -55.47 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.944 0.402 . . . . 0.0 111.309 175.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt 58.25 -175.04 0.08 Allowed 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.538 0.685 . . . . 0.0 109.225 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -56.83 -42.38 79.52 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.471 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.19 -56.16 24.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -28.82 48.79 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.509 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.436 ' HB2' ' HD1' ' A' ' 53' ' ' HIS . 6.2 tt -60.24 -47.41 86.09 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 174.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -60.54 -38.0 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -74.08 -33.35 63.62 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.4 -52.02 67.01 Favored 'General case' 0 C--O 1.253 1.255 0 CA-C-O 123.168 1.461 . . . . 0.0 107.812 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.67 -33.73 58.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.544 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.47 -35.35 77.43 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.668 0.667 . . . . 0.0 111.866 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.82 -48.51 66.03 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.52 71.33 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.516 0.674 . . . . 0.0 110.328 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -64.86 -34.4 78.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -69.21 -48.15 62.83 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -51.28 -48.86 62.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 122.654 1.216 . . . . 0.0 111.301 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.62 73.18 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.253 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -62.48 -43.53 98.58 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -61.95 -46.53 88.89 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.291 0.567 . . . . 0.0 109.529 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.13 -29.81 70.7 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.158 0.504 . . . . 0.0 111.292 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -79.9 -32.24 40.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.78 -35.04 76.55 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.14 76.88 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -56.57 -22.33 32.8 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.308 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.38 -30.45 64.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 117.758 0.254 . . . . 0.0 110.633 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.56 31.15 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 N-CA-C 117.426 1.73 . . . . 0.0 117.426 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.7 m -76.31 128.31 34.62 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 117.705 0.752 . . . . 0.0 111.976 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -103.64 -36.12 8.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.811 0.815 . . . . 0.0 109.758 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -167.28 -162.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.94 58.44 0.15 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 122.219 1.009 . . . . 0.0 111.0 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -57.31 145.87 30.67 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -52.05 -24.31 6.55 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -77.08 -31.07 55.76 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 117.641 0.201 . . . . 0.0 111.305 177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -125.35 80.47 1.89 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.43 1.5 21.96 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -117.59 21.93 12.69 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.978 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -56.63 14.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.188 -0.945 . . . . 0.0 111.944 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -74.28 -19.37 60.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.18 -32.63 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.8 -26.69 67.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.091 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.19 -31.14 60.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -36.88 78.3 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.42 -26.44 61.85 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.499 -0.751 . . . . 0.0 111.262 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.49 -42.99 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -59.18 -42.75 91.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -70.31 -32.24 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.89 -54.0 50.4 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.38 -44.32 95.75 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.13 -40.59 94.36 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.877 0.471 . . . . 0.0 111.654 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.61 -42.36 95.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.87 -43.58 75.08 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.84 -49.81 74.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.103 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -74.93 -18.41 60.4 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.45 -48.83 30.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -36.21 83.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.847 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.24 -47.45 83.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -63.54 -31.34 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.281 -0.262 . . . . 0.0 111.652 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -73.9 -24.79 59.75 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.569 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -92.94 -12.34 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.807 0.337 . . . . 0.0 111.777 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.2 m -75.15 -11.48 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -140.83 129.27 22.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 112.505 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -83.03 151.84 25.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.339 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.986 178.662 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 CA-C-O 118.869 -0.962 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 p -72.26 149.94 91.83 Favored Pre-proline 0 C--O 1.24 0.601 0 CA-C-N 118.349 1.074 . . . . 0.0 110.466 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.49 161.39 31.6 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 120.302 0.668 . . . . 0.0 112.657 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -49.42 -50.8 39.08 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -60.52 -33.76 73.11 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -85.36 -39.74 17.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.275 0.56 . . . . 0.0 109.822 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.94 -41.87 98.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.418 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -108.11 31.29 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.837 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -52.87 -32.13 43.24 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.114 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -68.48 0.19 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -28.94 53.97 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.903 -0.498 . . . . 0.0 110.55 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -60.9 -47.53 85.99 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.606 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mtm -71.4 -40.88 70.25 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.75 -0.594 . . . . 0.0 109.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -56.59 -48.29 77.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.626 0.25 . . . . 0.0 110.457 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -66.35 -47.49 73.28 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -53.83 -46.61 71.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.099 0.409 . . . . 0.0 111.051 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.03 -40.27 95.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.096 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -72.53 -37.26 68.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.311 -0.556 . . . . 0.0 112.454 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.08 -39.53 90.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.09 -22.8 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.073 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.55 -37.58 85.38 Favored Glycine 0 C--O 1.212 -1.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.27 -41.31 96.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.363 1.082 . . . . 0.0 109.586 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.35 -34.03 77.21 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -68.92 -23.02 64.12 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 121.139 -0.976 . . . . 0.0 111.38 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.76 63.61 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -65.72 -45.42 82.78 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 123.819 1.771 . . . . 0.0 108.325 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -59.48 -36.28 75.72 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.801 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 p -67.43 -38.23 84.24 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 119.271 0.941 . . . . 0.0 113.052 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -45.5 77.17 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -66.75 -38.99 87.74 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.38 -36.09 82.55 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.83 -43.73 87.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.513 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.81 82.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 117.148 -1.821 . . . . 0.0 109.347 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.2 -32.19 73.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.815 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -72.74 -29.22 63.16 Favored 'General case' 0 C--O 1.206 -1.208 0 O-C-N 121.862 -0.524 . . . . 0.0 110.008 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.45 -46.5 66.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -54.29 -49.46 69.55 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -62.26 -43.52 98.64 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.635 0.255 . . . . 0.0 111.638 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.18 76.75 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -77.44 -63.96 1.25 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 115.997 -2.281 . . . . 0.0 108.911 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.91 -43.88 66.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -95.78 -39.06 10.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.78 -33.99 11.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -168.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 36.11 50.65 0.72 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -67.1 -179.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.124 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.6 m -58.82 -16.46 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.95 -0.469 . . . . 0.0 111.87 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.87 -9.67 58.58 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.85 -32.37 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -176.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.36 -38.19 24.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.913 0.863 . . . . 0.0 110.3 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.73 21.99 9.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.033 -173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.7 -34.04 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.1 m80 47.85 54.28 10.19 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -38.1 -42.25 0.64 Allowed 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.6 -49.18 78.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.902 0.858 . . . . 0.0 111.716 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.49 -37.42 77.22 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.169 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -46.79 79.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.192 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.81 -44.96 96.19 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.57 -45.01 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.229 -0.588 . . . . 0.0 112.082 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -82.64 -30.99 28.98 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.38 -43.64 73.14 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.97 -33.21 62.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.05 -36.02 81.13 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.686 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.92 -48.32 71.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.81 76.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.324 0.583 . . . . 0.0 110.357 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.994 -0.441 . . . . 0.0 110.851 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.99 -52.92 57.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -52.17 -45.27 65.03 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.309 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.55 92.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -63.28 -41.36 99.0 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.16 -39.08 93.24 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.95 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.41 -33.4 72.94 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.585 -0.697 . . . . 0.0 109.834 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.62 -48.09 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.17 -31.63 69.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.764 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -60.45 -46.39 90.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -33.31 73.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.552 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -84.88 5.74 27.65 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.477 0.656 . . . . 0.0 110.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -155.96 13.39 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.905 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -135.22 165.13 26.13 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.68 11.59 0.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.71 143.03 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -74.07 47.53 0.28 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -60.76 144.17 52.93 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.6 -33.75 0.5 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -173.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -63.78 -33.04 74.77 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 118.334 0.516 . . . . 0.0 111.118 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -129.34 50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -58.55 -27.0 64.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.312 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -97.47 19.73 12.87 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.45 -59.5 3.94 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.511 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 120.452 -1.405 . . . . 0.0 109.377 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.5 -34.06 76.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -66.67 -34.12 77.15 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.0 -33.63 74.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.23 -39.87 93.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.48 -25.24 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.739 -0.601 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.38 -42.95 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -60.96 -38.15 84.89 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -71.82 -30.67 65.74 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 118.549 0.613 . . . . 0.0 111.998 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.71 66.27 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.7 -34.29 72.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.127 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -69.17 -32.5 71.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.0 -0.438 . . . . 0.0 111.855 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -63.91 -42.3 97.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.38 90.88 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.257 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.21 -47.28 86.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.774 0.429 . . . . 0.0 111.441 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.9 -32.94 72.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.532 . . . . 0.0 110.721 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.05 -42.76 93.94 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.56 -38.52 90.4 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -58.74 -50.2 74.8 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 p -60.3 -35.93 76.71 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.862 0.363 . . . . 0.0 111.211 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.07 -3.54 42.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.716 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 p -126.87 7.28 6.7 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.701 0.4 . . . . 0.0 111.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 m -69.05 5.73 1.11 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.9 m95 61.47 -152.45 0.37 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 67.68 151.28 0.07 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.035 1.734 . . . . 0.0 112.745 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.839 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 -179.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 CA-C-O 118.27 -1.294 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -118.1 84.85 22.71 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -70.67 -12.56 31.36 Favored 'Trans proline' 0 C--N 1.349 0.558 0 N-CA-C 113.574 0.567 . . . . 0.0 113.574 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -60.18 -32.61 71.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.154 -0.341 . . . . 0.0 111.517 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -66.96 -31.2 71.61 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.68 -0.637 . . . . 0.0 110.261 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -77.63 -37.37 50.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.53 -38.1 86.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 110.724 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -102.8 15.16 30.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.54 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 p -55.46 -37.28 67.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -42.69 99.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 111.51 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -76.66 -39.7 51.36 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -59.77 -41.22 90.6 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.271 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.5 ttm -66.25 -49.12 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.733 0.242 . . . . 0.0 110.497 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.92 -49.85 76.26 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.362 0.601 . . . . 0.0 110.356 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -61.98 -55.6 27.68 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.432 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -58.44 -35.51 72.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.946 1.248 . . . . 0.0 111.569 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.8 tpp -60.53 -49.41 77.64 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -83.77 -31.24 26.05 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -72.08 -36.35 69.51 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.67 -22.09 32.22 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.91 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.14 -39.99 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 169.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.75 -37.53 92.43 Favored Glycine 0 C--O 1.218 -0.869 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.636 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.59 -40.76 96.1 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.431 1.115 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -67.54 -36.11 80.36 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -61.88 -31.48 71.77 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.747 -0.595 . . . . 0.0 109.498 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.74 63.33 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.513 -0.742 . . . . 0.0 110.906 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -67.47 -45.07 77.0 Favored 'General case' 0 C--O 1.276 2.478 0 CA-C-O 124.236 1.969 . . . . 0.0 107.301 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -59.11 -33.26 70.63 Favored 'General case' 0 C--O 1.191 -2.021 0 CA-C-N 112.667 -2.061 . . . . 0.0 107.715 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -72.11 -31.03 65.66 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 119.568 1.076 . . . . 0.0 112.06 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mp -59.56 -55.7 31.21 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 171.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.3 -31.72 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -69.43 -36.12 76.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.45 -51.13 68.71 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -37.39 84.31 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 117.266 -1.774 . . . . 0.0 112.478 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -48.01 80.04 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.665 -0.647 . . . . 0.0 111.365 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -35.58 78.07 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.181 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.23 -49.08 77.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.01 -44.73 96.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.04 -49.09 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.964 0.411 . . . . 0.0 110.465 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.62 69.84 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.79 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -69.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 117.355 -1.738 . . . . 0.0 107.204 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -54.03 -36.26 62.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -171.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.96 -46.26 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.91 -17.67 17.47 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 68.0 -13.27 0.28 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p 65.94 153.59 0.07 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.53 1.532 . . . . 0.0 114.492 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.13 -13.1 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -83.47 14.65 3.54 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.234 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -29.94 -47.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.57 -25.24 67.89 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 64.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -44.5 -52.33 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.582 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 5.2 p80 -148.73 -72.81 0.19 Allowed 'General case' 0 C--O 1.239 0.524 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.582 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 53.7 mt 56.88 -170.9 0.09 Allowed 'General case' 0 C--O 1.254 1.32 0 CA-C-O 122.014 0.911 . . . . 0.0 111.398 -176.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.01 70.14 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.175 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -57.93 -56.07 26.79 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -72.4 -33.54 67.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 118.637 -1.225 . . . . 0.0 110.708 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.45 -44.82 95.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.435 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -65.12 -38.29 90.19 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.95 -29.8 61.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -77.31 -40.88 42.74 Favored 'General case' 0 C--O 1.248 0.995 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.71 -35.08 57.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -67.48 -34.01 76.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.728 1.149 . . . . 0.0 110.709 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -51.27 67.13 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.5 81.16 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.924 0.869 . . . . 0.0 111.516 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.46 -36.29 83.44 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.78 -0.575 . . . . 0.0 110.183 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -67.32 -47.29 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -52.31 -56.17 16.57 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.874 0.368 . . . . 0.0 111.055 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 -42.47 83.76 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -63.87 -40.96 97.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.831 -0.543 . . . . 0.0 109.548 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -68.78 -31.32 70.25 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.302 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -71.04 -31.07 67.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 118.527 0.603 . . . . 0.0 109.76 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -67.34 -44.43 79.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.63 -34.03 77.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.005 0.431 . . . . 0.0 109.921 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 tp -64.82 -45.36 86.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.449 0.643 . . . . 0.0 109.987 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.3 tpt85 -59.1 -31.09 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.296 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -76.42 -6.64 52.54 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.96 163.62 54.93 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.928 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 t -135.14 116.2 14.25 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.48 -47.63 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 120.843 3.646 . . . . 0.0 120.843 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.22 167.17 29.46 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 119.698 1.135 . . . . 0.0 113.237 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.88 10.46 9.64 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -175.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -74.79 -179.57 4.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.537 -1.352 . . . . 0.0 108.881 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.6 m 47.15 53.48 10.65 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.44 13.22 1.72 Allowed 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -177.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -79.53 12.42 2.51 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 118.683 0.674 . . . . 0.0 111.223 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -60.68 -22.28 63.74 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -57.86 -22.05 46.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.844 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.74 -61.46 2.06 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.93 -16.86 57.85 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 120.644 -1.285 . . . . 0.0 108.534 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.71 -34.0 75.01 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 171.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.49 70.94 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.434 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.14 -36.51 82.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.12 -39.38 93.92 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -71.12 -23.01 62.01 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.594 -0.691 . . . . 0.0 111.512 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 t -70.16 -41.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.4 -38.39 83.84 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -71.87 -31.76 66.79 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.39 73.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.25 -33.27 75.58 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.909 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -68.16 -35.2 77.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -66.2 -41.21 90.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.79 96.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.01 -49.43 76.88 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.432 0.693 . . . . 0.0 109.689 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.21 -42.98 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.26 -44.24 95.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.06 -42.53 98.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.702 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.85 -49.92 75.91 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p -61.56 -34.05 74.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.055 0.455 . . . . 0.0 111.859 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.01 -20.74 51.94 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.256 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.6 p -95.05 -13.04 25.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.4 m -68.41 9.83 0.3 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 30.22 101.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -105.6 -43.55 4.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.209 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 CA-C-O 118.787 -1.007 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -70.8 140.87 86.69 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -63.3 155.02 64.36 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 118.197 -0.736 . . . . 0.0 113.032 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.45 -36.24 75.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.25 -42.46 73.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.949 0.404 . . . . 0.0 111.084 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -80.61 -38.64 28.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.723 0.297 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -59.26 -40.41 85.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.22 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -98.59 4.82 48.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -45.72 -43.1 12.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HD2' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.62 -56.13 26.14 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 60.6 mm-40 -79.0 -27.42 43.33 Favored 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.952 -0.467 . . . . 0.0 109.856 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.8 -49.14 78.7 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.04 -42.42 89.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.72 0.295 . . . . 0.0 110.586 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -63.4 -40.39 97.09 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.281 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -64.95 -51.35 62.31 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -55.32 -39.71 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.442 0.464 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.46 -47.37 82.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.307 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -60.63 -42.98 97.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.662 0.268 . . . . 0.0 110.284 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.74 -43.86 87.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.006 0.432 . . . . 0.0 110.733 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.77 -26.29 54.34 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.9 -35.35 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.13 -38.83 88.51 Favored Glycine 0 C--O 1.212 -1.26 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.691 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.01 -41.08 97.58 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.158 0.979 . . . . 0.0 109.385 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -63.04 -39.26 94.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -65.29 -25.1 67.49 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.613 -0.68 . . . . 0.0 111.836 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.28 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.88 0.764 . . . . 0.0 109.37 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.8 -42.56 90.56 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 123.669 1.7 . . . . 0.0 107.881 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.88 -29.67 70.93 Favored 'General case' 0 C--O 1.202 -1.441 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.027 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -72.48 -42.91 64.38 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 118.957 0.799 . . . . 0.0 112.443 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.86 82.3 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -65.16 -37.24 86.75 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.171 -1.412 . . . . 0.0 113.916 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.15 -44.22 92.81 Favored 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -54.66 -52.04 63.6 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -44.26 72.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.934 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -40.9 91.84 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.32 0.964 . . . . 0.0 110.388 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.85 -37.76 73.15 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.642 0.377 . . . . 0.0 110.148 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.18 -48.48 73.31 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -57.95 -44.3 86.9 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.596 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -65.28 -46.87 78.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.689 0.28 . . . . 0.0 111.206 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' C ' ' HG1' ' A' ' 46' ' ' THR . . . -60.25 -35.06 74.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -63.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 117.337 -1.745 . . . . 0.0 109.821 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.41 -38.87 75.0 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -170.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -91.81 -46.04 8.08 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.069 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -97.57 -39.54 9.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 142.11 -58.69 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.987 2.115 . . . . 0.0 111.352 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.474 ' HG1' ' C ' ' A' ' 40' ' ' ALA . 6.1 m 69.58 139.59 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.918 1.287 . . . . 0.0 110.516 -172.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.91 -40.76 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.78 41.91 0.82 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.63 126.75 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 66.27 -43.23 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.933 1.693 . . . . 0.0 113.166 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -66.17 -7.37 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.795 1.238 . . . . 0.0 113.218 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.19 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.363 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 77.0 m80 47.88 73.38 0.21 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.52 -38.94 15.03 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.674 1.124 . . . . 0.0 110.924 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.04 -46.8 87.32 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -64.73 -45.8 84.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.077 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.7 mt -59.08 -47.18 86.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.38 -48.79 76.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.926 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.65 -48.39 66.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.83 -42.72 63.5 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.407 0.622 . . . . 0.0 111.773 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.45 -36.79 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -67.19 -28.91 68.49 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.148 1.34 . . . . 0.0 111.259 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -50.11 62.36 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.11 73.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.474 0.654 . . . . 0.0 110.53 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -65.57 -36.52 84.01 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.978 -0.451 . . . . 0.0 109.913 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -63.67 -51.14 66.45 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.17 -45.88 68.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 111.437 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.17 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -63.41 -41.67 98.73 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -61.26 -39.65 91.17 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.0 -24.29 60.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.543 0.211 . . . . 0.0 111.071 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -73.24 -46.48 49.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.77 -32.52 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -48.52 73.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -16.48 64.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.46 7.19 47.12 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.675 175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.69 173.24 45.28 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -136.84 179.82 6.14 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.763 -0.846 . . . . 0.0 109.531 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.67 -27.53 69.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -87.27 92.86 9.22 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.244 0.545 . . . . 0.0 110.465 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -83.48 82.23 8.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -54.61 145.48 18.84 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.77 -27.96 45.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -92.29 8.65 37.33 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.999 -0.438 . . . . 0.0 111.443 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -131.33 25.97 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -65.02 -10.54 30.55 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.524 0.678 . . . . 0.0 111.432 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -17.5 59.1 Favored 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.664 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.82 12.06 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.105 -0.997 . . . . 0.0 113.013 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -76.48 -16.92 59.55 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.658 -1.276 . . . . 0.0 108.769 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.7 -30.17 71.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.64 -22.9 65.3 Favored 'General case' 0 C--O 1.221 -0.435 0 O-C-N 121.074 -1.016 . . . . 0.0 109.698 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.03 -33.11 61.73 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.61 -35.45 78.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.78 -33.07 74.8 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.621 -0.674 . . . . 0.0 110.856 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.45 -43.27 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.08 -43.45 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -72.16 -30.0 64.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.73 69.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.06 -39.49 92.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.423 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -62.39 -36.11 81.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -68.4 -38.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.546 -0.721 . . . . 0.0 109.252 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.53 95.75 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.198 0.523 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.65 -46.68 88.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.746 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -37.87 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.804 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.89 -51.98 59.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.82 -43.36 80.93 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.271 0.558 . . . . 0.0 111.079 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -47.09 82.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -66.34 -28.49 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -78.09 -16.51 57.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.1 p -114.13 -27.15 7.77 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.903 2.927 . . . . 0.0 118.903 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 -51.52 66.74 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 121.461 3.875 . . . . 0.0 121.461 -168.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -144.65 122.59 12.03 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 118.345 2.72 . . . . 0.0 118.345 -171.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 48.58 -138.82 0.8 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 114.487 -1.233 . . . . 0.0 114.301 171.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 N-CA-C 102.361 -3.2 . . . . 0.0 102.361 176.696 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 CA-C-O 118.728 -1.04 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -70.07 134.99 87.31 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -76.72 166.66 26.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 117.616 -1.123 . . . . 0.0 112.176 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -57.25 -37.13 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -55.79 -38.87 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.376 . . . . 0.0 111.57 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.36 -36.85 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -56.08 -46.81 78.87 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -95.96 3.34 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -177.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.8 p -53.27 -40.2 64.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -40.01 95.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.0 -26.91 25.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.33 -51.97 66.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.5 ttp -60.21 -43.7 95.76 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.8 -50.82 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -68.18 -44.48 75.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.455 ' HG3' ' HE ' ' A' ' 76' ' ' ARG . 66.7 ttp -58.9 -43.05 90.96 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.153 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.36 -47.83 75.06 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -60.53 -46.55 89.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 111.755 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.79 -32.05 61.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.865 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.35 -30.26 57.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.116 -0.99 . . . . 0.0 110.711 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.13 -37.88 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.86 98.07 Favored Glycine 0 C--O 1.212 -1.258 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.35 -40.52 96.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.233 1.016 . . . . 0.0 110.118 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -64.47 -34.02 77.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -71.28 -21.22 62.12 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.842 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.55 -30.34 57.04 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -67.26 -44.78 78.53 Favored 'General case' 0 C--O 1.28 2.679 0 CA-C-O 124.422 2.058 . . . . 0.0 106.806 172.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.24 -30.11 70.25 Favored 'General case' 0 C--O 1.179 -2.621 0 CA-C-N 113.056 -1.884 . . . . 0.0 107.854 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.6 p -70.38 -30.96 68.0 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 119.909 1.231 . . . . 0.0 111.338 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.3 mt -56.99 -55.57 32.91 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 101.578 -3.49 . . . . 0.0 101.578 172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.15 -33.6 73.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.64 -35.32 77.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.47 63.21 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.428 HE21 ' CG2' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -66.32 -34.62 78.4 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 116.85 -1.94 . . . . 0.0 112.615 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.18 -46.34 74.24 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.22 -0.925 . . . . 0.0 110.916 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -65.38 -35.18 80.18 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.8 -45.31 93.25 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.534 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 -57.75 -48.83 78.52 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.96 -38.22 90.27 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -69.47 -59.12 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.58 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -49.2 -41.71 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -95.63 -46.3 6.68 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -101.03 -37.98 8.38 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 116.609 2.078 . . . . 0.0 116.609 -168.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 45.89 55.62 6.8 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.1 p -62.59 165.61 6.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.48 -8.15 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.176 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.22 -2.68 22.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.104 -0.372 . . . . 0.0 111.395 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -45.28 -31.13 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -59.14 -25.07 63.55 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -137.27 6.05 2.78 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -13.62 17.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.04 -132.23 0.08 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt 63.07 170.43 0.15 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 110.872 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.13 -31.21 65.11 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.195 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.84 -59.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -26.05 39.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.808 -175.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.6 tp -58.89 -49.69 76.82 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -58.49 -45.57 88.47 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.514 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -66.19 -40.31 90.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.54 -45.37 68.94 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 118.945 0.793 . . . . 0.0 109.625 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' CG2' HE21 ' A' ' 34' ' ' GLN . 16.9 pt -69.74 -20.04 23.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.189 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -77.1 -32.33 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.45 -0.781 . . . . 0.0 108.979 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -44.64 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.63 76.51 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.566 176.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.2 -29.18 67.97 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.983 -1.073 . . . . 0.0 110.844 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -66.47 -51.85 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.4 -46.37 56.19 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.875 0.369 . . . . 0.0 111.334 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.72 87.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -62.97 -40.49 97.87 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 121.499 -0.751 . . . . 0.0 109.354 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -62.03 -38.19 87.77 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.68 -25.8 59.41 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.825 -0.547 . . . . 0.0 110.457 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -66.98 -48.21 69.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.91 -43.23 91.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.422 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.25 -43.27 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.455 ' HE ' ' HG3' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.36 -15.07 62.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.979 -0.45 . . . . 0.0 111.46 -178.447 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -82.15 -5.18 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.63 147.69 32.79 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.67 106.69 9.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.999 -0.707 . . . . 0.0 110.58 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.48 -56.02 0.66 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.785 1.634 . . . . 0.0 110.817 -176.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -162.83 158.78 23.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.93 0.61 56.97 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 51.89 -110.72 0.52 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.286 0.635 . . . . 0.0 111.641 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 p -58.14 -26.74 63.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -96.57 7.98 45.25 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.962 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -55.18 -46.44 75.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.899 1.227 . . . . 0.0 113.372 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -66.35 -15.14 63.03 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.23 -43.78 6.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.375 -0.203 . . . . 0.0 110.629 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.61 -43.27 12.79 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.31 -17.45 62.46 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.476 1.489 . . . . 0.0 108.817 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -64.58 -33.32 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.9 -28.54 69.6 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -69.33 -45.09 70.31 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -61.73 -34.5 75.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -80.74 -9.21 59.82 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.86 -27.87 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 167.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.71 -36.18 82.87 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.29 -45.76 79.32 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.534 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.69 59.3 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.73 -50.84 72.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -61.98 -35.44 78.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.086 -0.384 . . . . 0.0 111.65 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -62.65 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.22 94.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.52 -46.04 87.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.592 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.16 -38.55 88.36 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.08 -44.34 92.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.01 -23.14 62.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.192 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.59 -46.6 75.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -32.05 72.74 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.581 0.229 . . . . 0.0 110.77 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.16 -19.92 60.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.784 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -110.21 8.61 23.72 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.6 m -69.14 13.31 0.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 30.9 p90 56.35 153.7 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -169.77 -40.87 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.219 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.689 177.096 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 CA-C-O 117.828 -1.54 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p 38.66 68.53 1.85 Allowed Pre-proline 0 N--CA 1.48 1.03 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -69.53 -2.09 9.41 Favored 'Trans proline' 0 C--N 1.349 0.56 0 N-CA-C 113.281 0.454 . . . . 0.0 113.281 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -58.54 -34.28 70.83 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 122.945 0.498 . . . . 0.0 110.708 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -64.87 -35.68 81.91 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.209 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -74.2 -36.33 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -62.59 -37.11 84.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.53 -20.08 30.19 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.024 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -76.6 -35.63 58.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.63 1.104 . . . . 0.0 108.041 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -55.74 -54.74 40.64 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.65 -31.18 59.71 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.093 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -61.55 -46.34 90.31 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.9 ttp -62.38 -43.34 99.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.915 -0.491 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -62.47 -46.02 90.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.057 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -66.33 -45.52 79.96 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.6 ttp -57.94 -44.82 87.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.779 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.16 -35.62 78.34 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.205 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -73.47 -41.65 62.9 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.844 -0.535 . . . . 0.0 111.689 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -75.0 -15.06 60.67 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.533 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.96 -24.11 35.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.995 -1.065 . . . . 0.0 110.504 171.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 -40.51 91.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 172.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.21 -31.27 76.99 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.696 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.81 -32.96 70.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -72.41 -26.22 61.78 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -68.18 -34.7 76.79 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 119.1 -1.04 . . . . 0.0 108.639 170.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.0 77.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.231 0.923 . . . . 0.0 110.4 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.05 -47.96 75.5 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-O 123.121 1.439 . . . . 0.0 108.154 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.34 -33.27 73.35 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.249 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -69.21 -40.5 77.96 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 119.374 0.988 . . . . 0.0 110.45 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.77 -46.54 89.12 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -68.86 -36.66 78.38 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 118.918 -1.113 . . . . 0.0 113.424 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -38.09 87.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.7 -51.86 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -43.66 77.59 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 117.684 -1.606 . . . . 0.0 113.746 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.37 -39.21 81.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.244 -0.91 . . . . 0.0 112.327 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -75.4 -28.5 59.47 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.915 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.5 -45.43 87.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -57.05 -44.18 82.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.39 -40.35 89.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.589 0.233 . . . . 0.0 111.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.57 91.74 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.8 -59.05 5.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.426 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -48.49 -43.26 34.77 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -174.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -91.21 -46.45 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.95 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -100.99 -35.94 9.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 82.23 -6.14 1.39 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 126.232 1.813 . . . . 0.0 110.628 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 p 65.29 162.14 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.09 -23.02 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -90.17 38.01 0.91 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.682 176.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -51.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -107.97 5.37 26.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.477 0.656 . . . . 0.0 109.821 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -124.04 10.31 8.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -38.58 75.04 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 119.539 -0.267 . . . . 0.0 111.137 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.7 m80 45.88 55.13 7.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -31.71 -51.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.48 -45.23 95.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.456 0.571 . . . . 0.0 111.489 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.19 -42.69 83.77 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.12 96.11 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.51 -44.83 93.16 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.67 -41.97 87.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.503 -0.748 . . . . 0.0 110.799 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.96 -42.92 62.89 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.63 -43.28 73.0 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.275 1.036 . . . . 0.0 110.006 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.98 -28.5 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.7 -33.8 74.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.699 -1.251 . . . . 0.0 110.289 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.49 -41.71 88.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.33 78.39 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.065 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -66.41 -35.52 80.53 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.11 -53.73 51.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.3 -50.14 59.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.53 75.62 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -64.51 -40.33 95.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' HE ' ' CD ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -64.5 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -36.54 81.08 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 76' ' ' ARG . 46.9 mtpt -59.22 -52.42 65.78 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.138 0.881 . . . . 0.0 109.303 174.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.05 -32.64 73.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.446 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.04 -42.95 72.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 51.9 mtp180 -61.13 -32.99 72.68 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 122.061 -0.399 . . . . 0.0 110.622 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.84 6.29 6.38 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.819 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.53 -179.56 43.62 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -162.75 -170.35 2.35 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.2 146.31 23.79 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.24 7.15 6.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.208 1.003 . . . . 0.0 112.555 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 50.62 35.12 10.9 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.494 1.518 . . . . 0.0 113.854 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 66.76 87.89 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.054 0.93 . . . . 0.0 110.337 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m 51.24 33.45 9.69 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.763 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.96 33.6 22.03 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.765 0.826 . . . . 0.0 111.826 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -82.47 98.33 8.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -50.74 -21.28 1.55 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -52.43 -30.55 30.0 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -57.33 10.83 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.53 -0.731 . . . . 0.0 111.975 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -73.67 -16.83 61.2 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.87 -1.144 . . . . 0.0 109.841 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.93 -28.06 68.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.473 ' CD ' ' HE ' ' A' ' 71' ' ' ARG . 17.7 mm-40 -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.71 -36.67 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.03 -36.09 83.27 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.968 0.889 . . . . 0.0 109.047 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -77.12 -23.65 51.76 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.416 -0.803 . . . . 0.0 111.549 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -67.83 -44.2 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.88 -41.3 82.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.217 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -75.09 -31.45 61.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.587 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.29 82.33 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.82 -43.22 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.662 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.4 ttt85 -61.88 -37.12 83.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.151 -0.343 . . . . 0.0 111.375 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -66.67 -38.02 85.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.09 84.35 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 109.815 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -57.84 -42.82 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.675 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -73.64 -29.34 62.29 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -66.43 -45.02 81.25 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.77 -37.18 86.72 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.966 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.83 -48.0 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.8 p -64.43 -29.15 70.21 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -77.31 -20.76 54.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.888 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -98.94 -12.16 20.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.8 m -73.55 -3.88 30.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -147.19 147.66 30.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -144.58 167.18 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.346 0.404 . . . . 0.0 110.712 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.589 179.458 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 CA-C-O 118.792 -1.005 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -65.47 151.83 93.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 118.15 0.975 . . . . 0.0 109.272 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -62.41 156.9 48.81 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 117.899 -0.934 . . . . 0.0 112.471 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.59 -31.33 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.217 0.532 . . . . 0.0 110.944 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -62.16 -31.54 72.05 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.077 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -85.67 -37.22 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -57.48 -40.81 79.38 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.224 0.535 . . . . 0.0 111.304 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -104.53 9.41 35.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 p -56.3 -41.74 76.46 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -43.76 97.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -176.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.97 -33.55 21.09 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -61.43 -44.17 97.59 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.55 -44.2 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.98 -47.31 85.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.606 0.241 . . . . 0.0 110.684 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -68.2 -44.27 76.19 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 ttp -54.96 -45.31 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.165 0.439 . . . . 0.0 110.274 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.73 -52.23 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.604 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.39 -36.7 79.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.64 -31.78 67.22 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.02 -24.16 43.86 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.132 -0.98 . . . . 0.0 111.225 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.23 -39.05 96.72 Favored Glycine 0 C--O 1.224 -0.515 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.48 -40.2 95.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -70.83 -25.15 62.72 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.414 -0.804 . . . . 0.0 110.754 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -73.99 -23.43 59.45 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.385 -0.822 . . . . 0.0 110.009 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.99 64.01 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.77 -42.75 97.72 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-O 122.828 1.299 . . . . 0.0 108.518 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.98 -43.4 98.91 Favored 'General case' 0 C--O 1.179 -2.656 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.388 173.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -58.85 -41.41 86.89 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 120.122 1.328 . . . . 0.0 112.158 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -48.5 65.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.151 0.887 . . . . 0.0 108.774 176.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -72.55 -26.31 61.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 117.418 -1.713 . . . . 0.0 114.801 -177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.14 -35.58 71.76 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.95 -42.8 99.53 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -62.08 -47.52 84.31 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.77 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -44.38 96.85 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.453 0.644 . . . . 0.0 111.208 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.06 -35.72 80.47 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.384 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.16 -46.79 79.44 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -56.43 -47.41 79.13 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.841 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -66.43 -42.81 87.14 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 -34.98 69.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.37 -62.8 1.57 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.772 168.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -51.1 -52.05 47.44 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -167.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -96.03 -34.37 11.78 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.175 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -16.74 20.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 118.105 2.631 . . . . 0.0 118.105 -169.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.21 44.05 2.12 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.867 1.267 . . . . 0.0 114.045 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -102.01 -134.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 173.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.2 m 42.1 44.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.248 1.019 . . . . 0.0 111.838 -178.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 51.17 61.75 3.08 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.654 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.39 140.82 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 71.05 -41.03 0.49 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.567 1.947 . . . . 0.0 112.446 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -100.73 26.63 6.63 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -55.06 -40.29 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.864 0.866 . . . . 0.0 111.812 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.4 m80 47.72 51.65 13.76 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -29.91 30.6 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.13 -44.07 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.93 0.786 . . . . 0.0 111.114 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.79 -45.34 71.55 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -60.43 -46.79 88.76 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.231 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.92 -46.72 87.26 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -53.99 -49.24 69.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.19 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -76.76 -41.08 46.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -175.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -70.73 -44.86 65.96 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 110.274 -178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.19 -35.14 67.37 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.97 -48.01 82.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.309 0.959 . . . . 0.0 110.293 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.31 -45.34 93.75 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-O 121.239 0.542 . . . . 0.0 110.274 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.37 73.82 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -73.72 -29.82 62.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.495 -0.753 . . . . 0.0 110.699 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.9 -46.62 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -58.85 -42.82 90.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.163 -1.415 . . . . 0.0 113.904 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -40.74 71.64 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.953 -1.092 . . . . 0.0 112.254 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.9 -41.77 97.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.137 -0.352 . . . . 0.0 110.658 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -60.94 -43.97 97.93 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.55 -35.84 82.02 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.803 -0.561 . . . . 0.0 110.183 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.5 -50.58 69.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.268 -0.27 . . . . 0.0 111.113 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.63 -30.83 66.2 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.41 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.09 -44.61 91.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -33.63 73.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.228 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.16 3.42 17.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.018 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.24 177.51 53.43 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 122.849 1.249 . . . . 0.0 115.5 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 p -113.74 170.68 8.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.562 -0.819 . . . . 0.0 110.932 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.15 77.04 0.96 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -165.06 167.63 18.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -118.19 2.28 11.98 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.042 0.925 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -148.33 -52.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -60.06 99.55 0.07 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.476 0.31 . . . . 0.0 110.574 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 59.32 16.33 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.607 1.163 . . . . 0.0 111.06 -172.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -127.52 48.5 2.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.009 0.909 . . . . 0.0 109.116 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 13.9 ttpt -57.03 139.63 51.64 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.406 ' CD1' ' HE3' ' A' ' 87' ' ' LYS 0.263 0.0 OUTLIER 47.53 35.1 3.94 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 119.463 3.134 . . . . 0.0 119.463 -179.599 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.47 -61.44 2.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -80.36 -16.98 53.26 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.763 -1.836 . . . . 0.0 108.758 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.34 -28.42 69.28 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 170.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.52 -32.41 73.75 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.26 -32.74 70.71 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.86 -33.46 75.65 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.36 -27.79 63.6 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.493 -0.754 . . . . 0.0 110.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.16 -42.0 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 -61.83 -36.92 82.58 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.83 -40.78 83.73 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.343 0.52 . . . . 0.0 111.787 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.44 -47.26 79.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.72 -45.32 87.06 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.814 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -61.17 -39.8 91.49 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -62.17 -49.01 77.53 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.18 71.44 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -67.19 -36.44 81.76 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.824 -176.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -74.5 -31.91 62.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 118.107 0.412 . . . . 0.0 110.266 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.01 -51.01 63.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -38.61 87.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.958 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.15 -47.47 83.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.29 -20.6 51.22 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.986 177.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -96.11 -3.89 43.78 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 122.045 -0.409 . . . . 0.0 110.519 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m -71.97 10.1 0.79 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 65.12 29.97 11.75 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -84.02 39.33 0.7 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.337 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.746 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.729 -178.786 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 CA-C-O 118.116 -1.38 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t 48.47 74.82 0.74 Allowed Pre-proline 0 N--CA 1.479 1.001 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.72 -34.7 98.55 Favored 'Trans proline' 0 C--N 1.347 0.498 0 N-CA-C 114.628 0.972 . . . . 0.0 114.628 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.21 -36.73 82.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.44 -39.57 91.3 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.32 -38.72 74.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -58.88 -42.83 90.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -97.37 3.93 50.89 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.4 p -55.83 -33.79 64.8 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 6.2 pttp -53.02 -59.26 4.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.36 0.6 . . . . 0.0 112.355 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -76.38 -33.98 58.89 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 -176.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.64 -50.61 72.58 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -63.65 -50.25 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -58.74 -46.01 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.375 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.38 -45.64 68.82 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.402 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.9 mmt -64.5 -37.56 87.97 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttm -58.48 -53.57 56.87 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -64.65 -43.0 95.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.701 -0.625 . . . . 0.0 111.21 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -19.34 33.16 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.586 -0.696 . . . . 0.0 110.571 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.38 -38.94 91.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 169.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.0 84.44 Favored Glycine 0 C--O 1.22 -0.769 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.123 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.89 -44.38 85.47 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.919 0.866 . . . . 0.0 108.965 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.86 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.53 -20.61 65.77 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.027 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.2 -44.87 35.85 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.26 0.936 . . . . 0.0 110.745 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.96 -41.98 85.98 Favored 'General case' 0 C--O 1.295 3.464 0 CA-C-O 123.991 1.853 . . . . 0.0 108.759 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -58.93 -39.07 80.5 Favored 'General case' 0 C--O 1.18 -2.594 0 CA-C-N 112.968 -1.924 . . . . 0.0 107.184 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -65.28 -30.29 71.15 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 120.234 1.379 . . . . 0.0 112.087 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' HG ' ' HA ' ' A' ' 27' ' ' GLU . 14.6 mt -60.83 -58.21 9.42 Favored 'General case' 0 C--O 1.26 1.658 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 174.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -71.87 -33.46 68.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 117.184 -1.806 . . . . 0.0 115.51 -172.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -65.63 -37.03 85.41 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.73 -52.9 54.6 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.716 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.87 89.74 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 116.689 -2.004 . . . . 0.0 110.753 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -50.72 72.55 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.136 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.61 -35.06 79.79 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 118.186 0.448 . . . . 0.0 111.376 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.36 -45.4 93.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -65.69 -32.62 74.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.335 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.22 -43.15 78.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.058 0.844 . . . . 0.0 109.247 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.85 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.35 -63.7 1.01 Allowed 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.621 -1.232 . . . . 0.0 108.822 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -52.21 -37.52 55.26 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -172.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.97 -46.39 6.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -97.13 -35.58 10.74 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 -169.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 39.55 51.3 2.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.9 m -51.44 150.39 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.56 -25.19 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.76 23.83 0.64 Allowed 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 112.236 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.08 -28.78 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.319 0.647 . . . . 0.0 112.662 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.86 -21.15 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.424 0.63 . . . . 0.0 111.256 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -116.45 -11.2 11.17 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.761 0.824 . . . . 0.0 111.843 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.0 t -56.93 -39.66 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.105 0.253 . . . . 0.0 111.623 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.64 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -143.8 -119.06 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.662 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.64 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 52.4 mt 65.48 169.58 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.936 1.294 . . . . 0.0 109.455 -176.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -52.5 -37.37 57.22 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.841 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -62.0 -56.15 22.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -76.25 -32.18 58.73 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.342 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.01 -45.96 91.29 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.368 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -65.05 -40.5 94.85 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.738 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.77 -48.7 80.61 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.436 0.562 . . . . 0.0 112.403 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.49 -48.33 72.96 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.406 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.0 pt -66.59 -28.21 42.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 118.607 -1.237 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -69.01 -40.54 78.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.142 0.883 . . . . 0.0 110.243 177.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.69 -47.4 72.52 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.605 0.717 . . . . 0.0 109.642 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.67 91.77 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.118 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -66.1 -28.81 69.1 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.834 -0.541 . . . . 0.0 111.349 176.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.65 -48.49 66.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -72.76 -20.16 61.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 116.894 -1.922 . . . . 0.0 111.811 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.622 -1.298 . . . . 0.0 109.267 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.76 -35.53 80.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -67.11 -35.55 80.0 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.229 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -38.23 89.75 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.143 -0.973 . . . . 0.0 109.635 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.18 -40.07 90.2 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.648 -0.657 . . . . 0.0 110.17 176.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.65 -33.62 76.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.498 -0.751 . . . . 0.0 110.045 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -58.8 -38.61 78.98 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.117 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -97.79 15.38 23.88 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.238 0.542 . . . . 0.0 110.324 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.73 -88.43 1.36 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 121.305 3.282 . . . . 0.0 121.305 -172.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 t -160.95 164.95 30.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.015 -0.697 . . . . 0.0 112.35 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.45 -37.0 81.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.199 0.6 . . . . 0.0 110.224 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -170.25 167.57 8.49 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -77.51 61.89 2.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.5 mtp-105 -131.83 173.83 10.77 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 170.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.1 t 57.65 -102.16 0.14 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.239 0.616 . . . . 0.0 110.004 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -70.69 -23.98 62.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.33 0.514 . . . . 0.0 111.405 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 63.02 -62.51 0.12 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp 51.02 37.35 17.57 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.089 0.956 . . . . 0.0 112.271 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 p90 41.61 38.41 0.9 Allowed 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -57.97 6.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.85 -1.156 . . . . 0.0 108.646 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -42.6 95.81 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -75.92 -22.3 56.18 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.586 -1.246 . . . . 0.0 110.274 -175.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.75 -41.15 96.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.53 -27.92 66.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -32.2 67.48 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.867 -0.521 . . . . 0.0 110.338 174.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.1 -35.45 58.86 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 CA-C-O 122.422 1.106 . . . . 0.0 108.699 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.73 -31.88 72.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -74.94 -33.85 62.02 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.998 -0.438 . . . . 0.0 110.159 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.71 -50.39 70.45 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 173.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.1 -45.91 89.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -59.02 -40.04 83.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -64.43 -46.11 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -47.98 83.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.8 -37.98 89.4 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.951 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.31 -34.59 72.9 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.398 -0.814 . . . . 0.0 111.948 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.52 -39.8 89.14 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.819 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -54.93 -52.51 62.74 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -35.63 76.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.07 -20.53 52.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.021 -0.424 . . . . 0.0 111.106 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -103.22 -1.4 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.34 0.656 . . . . 0.0 112.722 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.0 m -58.37 -18.39 27.47 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.6 t90 66.76 -34.1 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 174.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -55.08 143.38 27.17 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 179.405 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 CA-C-O 118.82 -0.989 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -66.97 144.48 98.54 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 118.28 1.04 . . . . 0.0 109.628 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.71 -4.02 13.15 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 118.356 0.449 . . . . 0.0 112.676 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.84 -26.85 68.8 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.88 -41.61 96.32 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.85 -37.31 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.02 -19.07 62.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.28 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -105.81 -20.13 13.54 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.828 0.823 . . . . 0.0 113.1 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -71.24 -37.39 71.98 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -171.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -59.04 5.02 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -85.33 -25.13 27.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.037 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.23 -48.1 81.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 118.26 -1.376 . . . . 0.0 108.613 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.9 mmt -71.58 -34.82 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.679 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -62.04 -45.18 94.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.356 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.95 -45.1 87.17 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -54.62 -47.15 73.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.24 -41.87 93.92 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.85 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -63.41 -40.57 97.55 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.939 0.399 . . . . 0.0 110.116 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.52 -38.28 84.04 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.343 -0.223 . . . . 0.0 110.539 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.61 -27.28 45.47 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.792 -0.763 . . . . 0.0 112.399 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.12 -41.37 97.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.16 -37.1 92.7 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.21 -44.65 94.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.598 0.699 . . . . 0.0 109.441 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.95 -33.06 71.62 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.565 -0.709 . . . . 0.0 109.984 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -62.56 -34.6 77.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.514 -0.741 . . . . 0.0 109.215 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.73 72.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.898 -0.501 . . . . 0.0 109.733 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HA ' ' HG ' ' A' ' 30' ' ' LEU . 11.4 tt0 -65.07 -43.11 93.27 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 123.523 1.63 . . . . 0.0 109.032 175.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -63.29 -30.63 71.74 Favored 'General case' 0 C--O 1.194 -1.857 0 CA-C-N 114.045 -1.434 . . . . 0.0 108.744 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.7 p -69.04 -33.52 73.74 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 119.78 1.173 . . . . 0.0 110.638 175.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' HG ' ' HA ' ' A' ' 27' ' ' GLU . 11.2 mt -59.69 -51.99 67.42 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 173.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -73.36 -26.74 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.27 -40.8 90.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.86 -48.92 78.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.23 -59.38 4.74 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.593 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.88 -46.33 88.34 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -72.53 -22.16 61.07 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 121.49 -0.756 . . . . 0.0 112.08 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.62 -44.32 28.67 Favored 'General case' 0 C--O 1.27 2.178 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -56.65 -43.92 80.81 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 114.639 -1.164 . . . . 0.0 107.9 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.41 -31.81 65.83 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.06 85.17 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.02 -63.92 1.31 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 114.762 -2.775 . . . . 0.0 111.416 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.48 -39.78 80.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -167.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -95.64 -43.08 8.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -96.75 -12.66 23.43 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -166.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 44.88 32.89 0.89 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 170.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -66.56 170.16 6.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 m -62.74 -8.0 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -20.8 62.14 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.538 0.335 . . . . 0.0 111.451 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.3 130.47 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.693 0.282 . . . . 0.0 111.333 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 68.8 -46.4 0.55 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.955 1.702 . . . . 0.0 112.964 -174.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -64.26 -15.39 60.02 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.751 0.82 . . . . 0.0 112.082 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -27.16 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.921 174.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.7 t60 54.56 52.15 12.79 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -175.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.7 tp -32.11 -51.88 0.25 Allowed 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -170.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.98 -47.66 83.82 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.352 0.978 . . . . 0.0 111.113 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -66.76 -39.36 87.85 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.5 -47.32 84.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.89 -48.53 81.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -53.23 -46.22 69.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.07 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -74.94 -44.43 48.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -63.24 -47.9 80.52 Favored 'General case' 0 C--O 1.274 2.383 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.9 pt -70.92 -22.01 22.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.466 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.486 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.34 -37.46 80.52 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.869 1.213 . . . . 0.0 109.609 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.42 -45.8 58.0 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 121.458 0.646 . . . . 0.0 109.75 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.62 81.1 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 117.863 -1.535 . . . . 0.0 109.832 177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -64.66 -31.73 73.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.145 0.578 . . . . 0.0 109.83 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.69 -53.58 49.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.96 -27.41 66.57 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 116.796 -1.962 . . . . 0.0 113.176 176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.07 76.49 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.761 -1.212 . . . . 0.0 111.154 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.43 -37.3 86.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.87 -36.35 84.06 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.45 -36.98 84.11 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.764 -0.585 . . . . 0.0 109.836 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.63 -47.31 84.31 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.492 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.96 -39.27 88.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.906 0.384 . . . . 0.0 111.274 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.99 -44.09 90.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.21 -37.97 87.37 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.056 0.455 . . . . 0.0 110.209 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.25 13.76 4.02 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.436 0.636 . . . . 0.0 110.414 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.48 -128.4 2.02 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.396 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -139.72 167.78 21.32 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.1 -0.647 . . . . 0.0 112.059 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.78 130.52 44.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 p30 57.17 175.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.21 61.41 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.971 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.52 177.86 0.83 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.169 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -96.13 -0.77 49.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -140.26 31.01 1.95 Allowed 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 122.734 0.414 . . . . 0.0 110.954 -175.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -66.83 -8.87 31.87 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -118.75 14.44 13.43 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 123.864 0.866 . . . . 0.0 109.402 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.56 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -78.37 -20.12 51.93 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 121.109 -0.995 . . . . 0.0 108.571 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.6 -36.0 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 169.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.2 -25.71 63.55 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.626 -0.671 . . . . 0.0 109.991 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.72 -37.74 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.54 -36.04 81.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -30.86 71.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.676 -0.64 . . . . 0.0 111.533 175.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.32 -35.13 45.62 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -38.06 77.73 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 173.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.75 -25.09 53.08 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.93 79.79 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 170.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.34 -41.92 88.86 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.872 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.66 75.33 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.715 -0.616 . . . . 0.0 110.714 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -46.42 89.67 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.97 -51.68 68.24 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.952 0.882 . . . . 0.0 110.229 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.77 -39.55 81.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.325 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.95 -40.02 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.98 -38.16 79.18 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.71 -35.46 80.64 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 112.114 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.36 -48.45 81.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.7 p -62.95 -32.91 74.33 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.006 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -78.05 -19.63 53.93 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.787 -0.571 . . . . 0.0 109.997 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p -97.05 -18.61 19.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.255 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.9 m -90.51 -17.49 26.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -78.48 78.48 4.94 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 58.07 72.86 0.5 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 171.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.458 174.139 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 CA-C-O 118.637 -1.091 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -65.29 147.1 98.81 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 118.171 0.986 . . . . 0.0 110.402 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.79 170.47 19.53 Favored 'Trans proline' 0 C--O 1.24 0.625 0 O-C-N 122.113 0.533 . . . . 0.0 112.808 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -34.88 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.862 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -57.84 -41.13 81.69 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.251 -0.281 . . . . 0.0 110.552 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -77.64 -35.4 52.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.299 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -57.96 -40.66 81.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.75 10.63 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.017 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -45.77 -38.98 7.64 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -172.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 5.8 pttp -47.27 -78.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.272 1.034 . . . . 0.0 113.559 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.546 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 28.7 tp10 -77.53 -26.4 51.03 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.366 -174.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -66.66 -47.15 73.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.975 -0.453 . . . . 0.0 111.141 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -70.62 -38.28 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -44.64 80.31 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -56.7 16.67 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.712 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -58.53 -35.03 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.72 -50.92 65.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.5 -41.17 84.76 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -64.82 -48.74 73.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.372 0.606 . . . . 0.0 112.169 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.33 -26.03 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -72.8 -25.75 61.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.7 -40.72 85.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 172.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.1 -38.96 88.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -64.2 -37.43 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.645 -0.659 . . . . 0.0 110.051 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.19 -37.13 84.12 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.44 94.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.561 1.073 . . . . 0.0 111.911 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.62 -44.68 81.39 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 123.966 1.841 . . . . 0.0 109.298 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -61.36 -33.08 73.05 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.116 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -68.63 -42.45 78.03 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.581 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -48.43 76.0 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.31 -39.68 89.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.223 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -68.45 -27.53 66.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.6 -51.47 59.41 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -41.41 92.5 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 117.0 -1.88 . . . . 0.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.66 -50.97 70.5 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.658 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.2 -22.13 60.52 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.6 -43.22 56.59 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -59.87 -43.45 94.71 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -59.58 -48.86 79.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.867 0.303 . . . . 0.0 110.56 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.25 83.49 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.34 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 115.227 -2.589 . . . . 0.0 110.219 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -58.69 -39.39 80.6 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -167.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -96.04 -40.81 9.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.092 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -96.84 -9.82 27.87 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 39.55 48.75 1.87 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.5 t -50.74 155.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.719 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.57 -21.26 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.61 0.764 . . . . 0.0 113.015 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -93.15 25.12 3.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.1 137.16 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 69.6 -43.31 0.52 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.215 1.406 . . . . 0.0 112.701 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.94 -32.81 71.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.091 0.556 . . . . 0.0 110.062 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.45 -13.62 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 27.84 87.71 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -39.07 -41.77 0.84 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -175.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.7 -52.43 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.126 0.875 . . . . 0.0 111.765 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.21 -39.62 78.49 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -50.26 74.73 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.855 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.6 -44.91 95.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -56.71 -46.19 81.4 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.268 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -78.56 -33.17 47.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.97 -42.54 60.33 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.537 -0.727 . . . . 0.0 109.867 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.45 -35.92 74.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -63.88 -40.43 96.52 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.909 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.51 -46.76 86.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.58 -31.51 72.59 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.24 0.543 . . . . 0.0 110.96 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -64.52 -35.36 80.72 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.511 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.32 -45.63 69.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.71 -49.89 67.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 120.912 0.387 . . . . 0.0 111.431 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.79 86.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -62.92 -42.46 99.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -62.24 -32.37 73.04 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.175 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.57 -23.18 56.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -72.78 -46.73 51.74 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.128 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.71 -43.37 76.46 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.643 1.211 . . . . 0.0 108.209 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.1 tp -64.43 -46.7 82.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.306 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -22.04 65.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.0 9.76 29.37 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.811 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.05 -172.69 40.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 106.691 -2.563 . . . . 0.0 106.691 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -129.1 -166.9 1.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.43 2.28 0.64 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -155.63 165.86 35.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.27 39.54 3.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.514 1.15 . . . . 0.0 110.661 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -80.62 -162.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t 50.5 41.05 24.74 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.064 0.459 . . . . 0.0 111.531 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 63.78 10.66 5.3 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -81.91 13.75 3.13 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.102 0.864 . . . . 0.0 111.312 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -6.14 1.28 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -174.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -77.23 -13.74 59.89 Favored 'General case' 0 C--O 1.208 -1.085 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.777 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.04 -56.75 8.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.73 -18.64 60.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.073 -1.017 . . . . 0.0 109.067 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.7 -40.67 88.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.66 -21.35 62.61 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.78 -35.73 70.11 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.81 -36.84 75.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 120.978 -1.076 . . . . 0.0 108.23 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.58 -24.34 62.75 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.893 -0.504 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.07 -40.86 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 172.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 tpt85 -62.51 -33.14 74.29 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.984 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -71.6 -39.02 70.78 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 119.152 0.887 . . . . 0.0 111.161 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.25 72.93 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -42.2 99.7 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.735 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -64.53 -35.32 80.59 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.424 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 7.3 tmtt? -64.54 -48.88 73.43 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.36 95.45 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.282 0.563 . . . . 0.0 110.998 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.38 -53.84 53.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.529 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 102' ' ' LYS . 16.3 pttt -71.19 -23.06 61.96 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.246 0.546 . . . . 0.0 112.245 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -70.67 -44.94 66.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.38 -32.86 74.51 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.364 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.27 -47.21 86.96 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -62.85 -30.71 71.71 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -78.2 -20.8 51.16 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.98 -0.45 . . . . 0.0 110.328 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -105.4 4.39 30.71 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.734 0.302 . . . . 0.0 111.274 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.7 m -66.58 -4.06 7.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 62.49 -92.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.191 0.996 . . . . 0.0 113.301 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.3 t80 55.84 27.08 10.4 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.891 179.419 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 CA-C-O 118.339 -1.256 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -62.99 141.13 97.68 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -66.83 142.49 63.25 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 116.785 -1.677 . . . . 0.0 114.191 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.3 pm0 -63.98 -32.76 74.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.447 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -62.92 -36.4 83.26 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.731 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -80.52 -39.41 27.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.6 -40.66 83.86 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.663 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -103.93 17.75 23.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.109 -177.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -54.36 -34.08 60.4 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -59.21 -55.56 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.63 -34.88 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.846 -0.534 . . . . 0.0 110.996 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.06 -42.03 90.02 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.171 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 ttm -67.88 -39.3 83.69 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.53 -0.731 . . . . 0.0 109.849 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -55.5 -48.95 73.8 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -61.45 -54.2 46.56 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.536 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 74.4 mtm -53.42 -55.28 26.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.033 -0.417 . . . . 0.0 111.813 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mmt -61.16 -48.21 82.62 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -81.79 -34.4 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -88.25 -19.26 27.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.518 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -81.78 -23.78 36.38 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 118.907 -1.117 . . . . 0.0 108.337 171.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.19 -42.22 93.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.229 -2.137 . . . . 0.0 105.229 170.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.08 -37.75 95.45 Favored Glycine 0 C--O 1.215 -1.079 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.515 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.54 -39.68 94.22 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.188 0.994 . . . . 0.0 109.576 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.78 -29.98 70.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -22.88 60.83 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.811 -0.556 . . . . 0.0 110.822 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.33 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.485 1.039 . . . . 0.0 108.482 173.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.25 -43.71 98.22 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -59.42 -35.52 74.15 Favored 'General case' 0 C--O 1.176 -2.791 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.486 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -63.65 -41.54 98.21 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.668 1.576 . . . . 0.0 111.818 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -44.92 95.55 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.11 -35.18 76.17 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.865 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -66.36 -39.42 89.15 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.4 -57.86 10.98 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.09 90.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 117.206 -1.798 . . . . 0.0 114.018 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -67.06 -43.91 81.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.365 -0.835 . . . . 0.0 111.715 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -70.89 -26.89 63.43 Favored 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.328 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -70.26 -46.02 65.22 Favored 'General case' 0 C--O 1.256 1.401 0 CA-C-O 122.303 1.049 . . . . 0.0 110.03 173.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.77 -36.56 81.4 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.872 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -76.2 -25.57 55.29 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.842 0.353 . . . . 0.0 110.672 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.89 66.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -78.28 -63.64 1.35 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 116.239 -2.184 . . . . 0.0 108.636 168.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.32 -51.24 19.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -170.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.02 -40.73 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.15 0.5 . . . . 0.0 111.133 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -96.96 -12.02 23.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -166.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.6 48.73 3.59 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 m -45.72 137.25 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.263 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 p -55.19 -25.91 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.49 32.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.385 -0.822 . . . . 0.0 111.654 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -53.77 -33.98 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -76.68 -11.24 59.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.342 0.591 . . . . 0.0 112.318 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -144.61 35.83 1.17 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.139 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -33.11 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -153.45 -55.29 0.11 Allowed 'General case' 0 C--O 1.237 0.407 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.7 mt 60.31 -178.36 0.1 Allowed 'General case' 0 C--O 1.25 1.079 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -170.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 28.3 mp0 -62.33 -36.52 82.46 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.715 -0.616 . . . . 0.0 109.508 -176.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.24 -56.28 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.072 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -79.19 -23.71 43.67 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.029 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.69 -46.87 87.84 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -63.41 -35.56 80.83 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.659 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.29 -46.91 75.33 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -63.65 -48.79 75.8 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.8 mt -63.86 -31.69 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.759 -0.588 . . . . 0.0 110.898 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -68.74 -32.39 72.12 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.712 -1.242 . . . . 0.0 110.25 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.26 -40.27 67.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.01 80.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.966 0.889 . . . . 0.0 109.603 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -65.58 -34.95 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.287 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.4 -51.14 55.49 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -49.12 -47.86 45.06 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.92 99.62 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.34 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -65.81 -33.19 75.28 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.162 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.0 mt -70.99 -28.78 64.69 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -72.2 -43.31 64.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.93 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.64 -36.81 84.76 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.33 -49.28 72.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -16.61 64.08 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -41.14 96.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.44 179.5 27.27 Favored Glycine 0 C--O 1.228 -0.258 0 N-CA-C 119.504 2.561 . . . . 0.0 119.504 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -161.31 165.07 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.25 -0.83 20.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -154.24 131.63 11.24 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.162 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' CD ' ' HA ' ' A' ' 87' ' ' LYS . 1.5 mm-40 -100.29 3.46 43.45 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.06 175.39 4.52 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.474 -0.766 . . . . 0.0 110.093 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t 52.5 39.86 28.63 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 62.44 15.94 8.22 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.396 1.078 . . . . 0.0 113.787 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -75.94 1.12 16.08 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HA ' ' CD ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -61.47 -6.94 2.65 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.87 -29.32 27.53 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.269 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.26 -56.68 11.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 118.351 -1.34 . . . . 0.0 110.486 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.56 -17.49 61.71 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.184 -0.947 . . . . 0.0 110.772 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -61.78 -36.51 81.27 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.28 -29.31 70.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.415 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.04 -39.19 83.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.49 -39.63 88.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.661 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -72.38 -24.81 61.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.787 -0.571 . . . . 0.0 111.334 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -68.2 -42.08 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.51 -41.67 85.96 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.53 -33.32 71.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.36 75.7 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.96 -37.32 86.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.39 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.28 -38.34 88.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.38 -46.56 82.83 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.75 87.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.056 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.36 -45.38 94.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 0.0 111.272 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.408 ' HZ1' ' CD ' ' A' ' 108' ' ' GLU . 53.8 tptt -67.33 -31.88 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.351 0.596 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.28 -41.68 80.68 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.7 -34.58 78.54 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 121.715 -0.615 . . . . 0.0 110.887 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.408 ' CD ' ' HZ1' ' A' ' 105' ' ' LYS . 24.4 tt0 -58.04 -47.28 83.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -62.9 -32.3 73.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.998 -0.439 . . . . 0.0 110.939 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -78.13 1.79 20.09 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -130.83 2.67 4.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -68.18 -25.45 65.25 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -146.36 137.27 24.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.464 0.575 . . . . 0.0 110.415 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -152.2 170.13 20.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.728 -173.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.961 177.516 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 118.624 -1.098 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -64.9 148.53 97.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 118.233 1.016 . . . . 0.0 109.935 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.93 165.19 33.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 117.507 -1.195 . . . . 0.0 110.73 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.12 -40.05 60.74 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -56.03 -48.3 76.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.006 0.431 . . . . 0.0 111.326 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -76.07 -34.04 59.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.951 -0.468 . . . . 0.0 110.349 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -57.73 -39.54 77.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.828 0.451 . . . . 0.0 111.232 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 2.45 36.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -55.91 -33.37 64.59 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 9.7 pttp -54.16 -72.25 0.06 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 31.6 mm-40 -77.19 -25.55 51.9 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.672 -0.643 . . . . 0.0 109.804 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -64.98 -42.92 94.14 Favored 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.408 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 tpt -67.66 -42.64 81.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.652 0.66 . . . . 0.0 109.745 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -55.71 -52.87 62.4 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.562 0.696 . . . . 0.0 110.258 178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -66.15 -47.89 72.56 Favored 'General case' 0 C--O 1.182 -2.497 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.4 ttp -53.5 -42.26 67.13 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.2 1.364 . . . . 0.0 111.953 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.8 ttm -60.09 -54.42 46.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -70.07 -32.39 70.45 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -73.4 -34.25 65.4 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.2 mt -84.05 -22.81 31.13 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 119.171 -1.012 . . . . 0.0 110.378 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.4 -48.2 82.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 167.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.29 98.15 Favored Glycine 0 C--O 1.213 -1.196 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.102 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.0 -39.49 89.93 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.325 1.062 . . . . 0.0 108.489 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -76.29 -20.82 56.95 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.297 -0.877 . . . . 0.0 112.198 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -75.35 -26.19 58.37 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.29 62.15 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -63.54 -43.3 97.5 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 123.488 1.613 . . . . 0.0 107.008 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.68 -23.63 65.33 Favored 'General case' 0 C--O 1.188 -2.183 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.239 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.8 p -73.31 -33.96 65.46 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 120.912 1.687 . . . . 0.0 108.572 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.94 -57.41 12.97 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 172.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -67.44 -35.23 78.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.91 -35.81 77.28 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -60.49 -52.36 65.53 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.151 0.887 . . . . 0.0 109.128 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -44.24 79.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 118.011 -1.476 . . . . 0.0 113.357 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -65.34 -43.48 90.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.712 -0.617 . . . . 0.0 111.214 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -70.21 -30.91 68.12 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.603 -0.686 . . . . 0.0 109.899 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.9 -48.5 68.53 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -61.2 -41.0 96.04 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.53 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.7 -38.24 86.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.054 -0.404 . . . . 0.0 110.401 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.71 86.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.62 -60.33 3.47 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 117.56 -1.656 . . . . 0.0 108.786 171.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.96 -50.86 18.28 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.09 -36.42 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -96.9 -36.29 10.62 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 38.48 51.94 1.7 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 p -62.0 170.84 1.96 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.01 -30.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.86 -15.28 54.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.43 -27.24 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.746 0.703 . . . . 0.0 111.227 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -77.06 -26.48 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.881 0.848 . . . . 0.0 109.501 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -122.46 24.53 9.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -35.06 61.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.836 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.8 m80 48.5 54.75 9.99 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -40.42 -41.93 1.5 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.16 -53.2 61.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.912 1.233 . . . . 0.0 110.209 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.13 -37.27 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.934 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.83 -47.98 64.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.256 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.63 -45.71 88.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -56.4 -45.26 80.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.46 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.51 -38.07 30.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.38 -43.51 77.17 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.075 0.94 . . . . 0.0 108.646 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.76 -34.75 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -65.29 -34.95 79.54 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.845 -1.16 . . . . 0.0 110.979 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.7 -48.44 66.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.54 -33.15 74.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.124 0.964 . . . . 0.0 110.343 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -32.02 73.42 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 121.625 -0.672 . . . . 0.0 110.875 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.89 -42.96 66.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -55.05 -53.69 52.64 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.576 0.703 . . . . 0.0 110.184 172.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.08 87.31 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.243 0.544 . . . . 0.0 112.181 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 26.9 tpt180 -65.68 -38.17 88.52 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.56 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.81 -40.19 91.61 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.22 -40.47 96.11 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.938 -0.476 . . . . 0.0 112.07 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -60.33 -43.29 96.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 110.211 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.75 -33.69 66.51 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.459 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -63.58 -26.2 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -98.01 12.82 33.01 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.472 0.654 . . . . 0.0 110.14 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.17 -128.96 2.68 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 116.255 1.262 . . . . 0.0 116.255 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 163.7 32.01 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.705 -0.88 . . . . 0.0 112.587 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.31 -13.02 57.61 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.44 0.638 . . . . 0.0 111.092 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -75.82 105.45 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.45 94.11 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 168.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -140.68 165.44 27.49 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 t -50.6 -32.69 19.52 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -72.25 -2.57 19.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.492 -0.755 . . . . 0.0 112.735 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -138.38 36.47 2.28 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -53.22 -24.22 10.58 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.621 0.725 . . . . 0.0 111.783 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -50.4 -23.31 2.3 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.702 -1.136 . . . . 0.0 113.043 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.19 -60.85 2.03 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.52 -14.19 60.78 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.723 1.147 . . . . 0.0 110.214 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.21 -19.14 42.9 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 169.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.55 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -56.86 -51.87 67.34 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.014 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.52 -35.19 79.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.61 -46.33 86.26 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.717 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.13 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.882 -0.511 . . . . 0.0 110.787 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.8 t -60.92 -45.11 98.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -57.95 -45.59 86.42 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.229 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.24 -31.12 68.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.898 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.55 71.59 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.41 -32.49 73.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.092 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.029 -0.42 . . . . 0.0 110.58 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -42.34 93.41 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.66 95.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.38 0.61 . . . . 0.0 111.465 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -59.15 -44.78 92.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -39.96 95.53 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.747 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.86 -46.25 90.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.18 -41.81 84.69 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 120.557 0.218 . . . . 0.0 111.083 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.36 -50.71 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -34.15 73.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -74.64 -17.38 60.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.5 p -112.53 0.47 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.2 m -68.33 -1.72 6.91 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 66.88 -81.64 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 55.86 23.55 6.6 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.023 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.785 0.326 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.1 2.87 53.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 -37.27 64.51 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -44.51 93.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -74.79 -40.11 61.33 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -57.85 -50.13 74.36 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.379 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.1 ptp -67.44 -36.69 81.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.865 0.757 . . . . 0.0 111.961 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -64.5 -45.51 86.98 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.784 -0.767 . . . . 0.0 110.109 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HZ1' HD22 ' A' ' 75' ' ' LEU . 22.1 mmmt -65.13 -49.8 68.49 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.422 ' HA ' ' HB2' ' A' ' 76' ' ' ARG . 28.0 ttt -55.07 -49.89 70.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 tpt -64.88 -49.22 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.492 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -63.67 -50.72 68.13 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.325 0.583 . . . . 0.0 111.79 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.09 -26.97 59.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.12 -30.73 55.35 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.239 1.381 . . . . 0.0 111.754 175.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.96 -40.46 96.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.31 97.2 Favored Glycine 0 C--O 1.212 -1.248 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.964 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.8 -42.56 97.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.367 1.083 . . . . 0.0 109.784 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -64.28 -38.33 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -68.15 -20.68 64.91 Favored 'General case' 0 C--O 1.209 -1.038 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.724 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.44 -33.66 60.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.973 0.806 . . . . 0.0 109.055 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.65 -44.15 82.66 Favored 'General case' 0 C--O 1.286 2.991 0 CA-C-O 124.089 1.9 . . . . 0.0 107.764 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -57.75 -39.98 78.63 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 112.37 -2.195 . . . . 0.0 107.089 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -65.04 -36.18 83.52 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.168 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.606 HD22 ' HB ' ' A' ' 62' ' ' ILE . 11.5 mt -54.32 -56.12 21.67 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -70.27 -34.39 72.74 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -69.34 -37.4 77.67 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -51.65 67.59 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.07 80.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 116.62 -2.032 . . . . 0.0 112.223 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.83 -39.05 90.46 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.49 -38.43 87.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.037 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.35 -41.64 96.65 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.96 -40.82 81.52 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.299 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.067 0.848 . . . . 0.0 112.755 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.45 71.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -79.53 -62.77 1.59 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.889 170.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -47.64 -44.6 27.05 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.0 -46.47 6.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.39 -30.55 12.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -167.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.3 mmt-85 62.92 61.89 1.09 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.35 0.66 . . . . 0.0 111.034 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.38 140.47 3.07 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.998 0.428 . . . . 0.0 111.477 172.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.94 -13.96 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 19.7 pt-20 -113.45 22.77 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -43.8 -39.37 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.79 -21.91 66.03 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 48' ' ' GLU . 41.8 mtmt -114.54 -22.18 9.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.66 -15.24 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -109.16 -124.38 0.26 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 mt 61.72 168.43 0.11 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.547 1.165 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -55.41 -36.22 66.21 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.151 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.96 -59.08 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -35.56 51.55 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 118.844 -1.142 . . . . 0.0 110.898 -175.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.35 -45.8 89.53 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.541 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.64 -37.97 88.05 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.708 -0.62 . . . . 0.0 110.312 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.05 -46.71 80.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.947 -0.701 . . . . 0.0 112.071 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -67.59 -43.65 80.02 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.695 -0.628 . . . . 0.0 110.895 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.606 ' HB ' HD22 ' A' ' 30' ' ' LEU . 11.3 pt -70.71 -17.47 20.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 C-N-CA 118.608 -1.237 . . . . 0.0 110.963 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.98 -36.61 48.73 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.74 -48.08 78.47 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -66.29 -27.04 67.62 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.299 0.571 . . . . 0.0 110.658 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -71.2 -32.36 68.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.043 -1.036 . . . . 0.0 110.008 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -66.44 -46.9 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -52.17 -51.3 58.89 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.937 0.399 . . . . 0.0 111.098 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.9 -41.57 98.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.03 -31.16 64.27 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.532 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.29 -36.67 82.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -64.79 -45.63 85.52 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.664 0.745 . . . . 0.0 110.1 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.67 -41.95 96.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.621 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' HZ1' ' A' ' 15' ' ' LYS . 83.4 mt -74.19 -43.14 58.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -63.99 -21.23 66.41 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 122.473 -0.142 . . . . 0.0 111.232 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -66.28 -16.1 63.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.95 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.08 80.26 1.4 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 116.97 1.548 . . . . 0.0 116.97 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -73.2 -7.84 53.21 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 64.6 -163.28 0.26 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.06 155.61 40.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.248 0.547 . . . . 0.0 112.157 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.781 0.801 . . . . 0.0 112.906 178.117 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.202 -1.4 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.95 -60.7 2.76 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.73 -16.76 56.83 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.99 -37.68 88.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -71.81 -24.11 61.67 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.29 -36.58 79.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.94 -32.52 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.874 -0.516 . . . . 0.0 109.735 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.16 -33.29 67.61 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.865 -0.522 . . . . 0.0 110.117 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.27 -45.38 98.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -63.56 -25.78 68.4 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.651 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -77.64 -37.08 50.78 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.698 -0.627 . . . . 0.0 110.064 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.39 77.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.337 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -63.95 -36.23 83.28 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.682 -0.636 . . . . 0.0 110.952 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -65.27 -43.02 92.6 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.92 88.02 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.071 0.462 . . . . 0.0 111.356 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -61.72 -39.68 92.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.906 -0.496 . . . . 0.0 110.223 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -67.35 -36.14 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.127 -0.358 . . . . 0.0 110.355 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.57 -50.89 69.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.98 -42.6 85.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.63 -49.11 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -64.69 -32.2 73.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -75.25 -21.98 58.19 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -102.38 -7.64 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -68.42 -23.57 64.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 121.781 0.801 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -98.36 12.19 35.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.321 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -53.55 -42.37 67.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -79.89 -34.07 39.43 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.8 -0.562 . . . . 0.0 109.798 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.0 -48.09 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.8 ptp -69.08 -33.8 74.11 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.55 -45.35 90.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -58.18 9.54 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -48.76 -50.03 35.73 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.82 -39.14 90.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.661 -0.649 . . . . 0.0 112.087 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.33 -39.55 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.55 -22.87 43.28 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.899 -0.721 . . . . 0.0 112.017 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.0 98.19 Favored Glycine 0 C--O 1.208 -1.511 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.73 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.55 -40.48 97.1 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.695 1.248 . . . . 0.0 109.86 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -64.34 -34.58 78.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.05 -20.71 61.63 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 121.776 -0.578 . . . . 0.0 111.542 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.45 -33.17 62.86 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 30' ' ' LEU . 54.3 mt-10 -65.3 -40.27 93.58 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 123.374 1.559 . . . . 0.0 107.164 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -65.62 -26.2 67.72 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.242 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -75.87 -34.19 60.02 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 120.661 1.573 . . . . 0.0 110.916 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 27' ' ' GLU . 4.2 mp -55.13 -56.59 18.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 103.226 -2.879 . . . . 0.0 103.226 170.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -67.39 -35.52 79.48 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -172.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.94 -37.01 78.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.91 -55.12 32.9 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -65.75 -38.09 88.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 116.9 -1.92 . . . . 0.0 112.697 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.688 -0.633 . . . . 0.0 112.46 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.2 -29.88 66.85 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.31 -0.869 . . . . 0.0 109.764 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.09 -45.15 78.13 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.29 -45.51 84.06 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.34 -39.06 91.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.594 0.235 . . . . 0.0 110.89 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.62 77.57 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -73.82 -60.67 2.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 116.927 -1.909 . . . . 0.0 109.078 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.35 -44.48 44.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -96.1 -44.27 7.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -100.53 -3.32 30.93 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -169.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 70.58 -38.58 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p 68.51 145.25 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.632 1.973 . . . . 0.0 113.62 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.22 -21.64 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.35 42.26 1.1 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -51.5 136.38 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 64.39 -4.67 0.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.8 3.91 6.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.967 0.507 . . . . 0.0 112.012 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -38.51 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 -170.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -148.63 -60.99 0.24 Allowed 'General case' 0 C--O 1.241 0.611 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.5 mt 57.41 -173.93 0.08 Allowed 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.819 0.819 . . . . 0.0 109.337 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.04 -42.7 80.97 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.53 -50.45 72.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -78.69 -30.47 46.13 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.081 -1.048 . . . . 0.0 109.747 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.99 -48.73 80.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.18 -40.71 86.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.221 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.37 -36.17 58.28 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.65 -44.24 82.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 pt -74.3 -18.69 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.491 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -69.49 -42.48 74.71 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.25 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.53 70.81 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.985 0.898 . . . . 0.0 111.194 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -73.99 -24.51 59.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.75 -1.219 . . . . 0.0 111.44 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -71.48 -46.87 58.7 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -52.3 -50.65 61.77 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.43 79.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.89 92.86 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.841 0.829 . . . . 0.0 108.936 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 95' ' ' GLN . 39.9 mtt180 -62.53 -36.9 84.05 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.592 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.92 -31.32 67.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.22 -0.3 . . . . 0.0 110.697 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -67.02 -46.17 75.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -63.53 -39.86 95.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.38 -45.76 92.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -33.25 69.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.285 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -79.33 1.78 23.88 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.11 -0.636 . . . . 0.0 112.022 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.5 170.57 54.49 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-O 121.76 0.644 . . . . 0.0 111.901 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 t -134.36 -169.06 2.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.755 -0.85 . . . . 0.0 108.811 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 126.01 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.257 0.223 . . . . 0.0 111.333 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.15 143.58 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.552 1.541 . . . . 0.0 114.317 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.773 0.796 . . . . 0.0 109.244 172.882 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 C--O 1.212 -0.913 0 N-CA-C 110.588 -0.152 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -54.57 43.11 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.594 0.712 . . . . 0.0 109.785 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.49 -36.02 73.58 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.71 -22.58 64.34 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.5 tp -72.5 -34.69 67.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -73.34 -24.85 60.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.305 -0.872 . . . . 0.0 108.934 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 71' ' ' ARG . 95.2 mm-40 -73.68 -26.11 60.57 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.006 -1.059 . . . . 0.0 110.005 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.1 -40.42 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -58.95 -38.58 79.36 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.81 -36.35 75.57 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.18 78.58 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.5 -38.53 91.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.992 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -64.86 -34.22 77.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.732 -0.605 . . . . 0.0 110.831 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -68.11 -40.52 82.53 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.58 89.58 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.772 0.796 . . . . 0.0 110.174 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.71 -43.22 94.2 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.093 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -41.06 95.46 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.12 -0.363 . . . . 0.0 110.543 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.95 -51.62 63.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.94 -42.95 99.2 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.771 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.19 -42.65 95.49 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -66.49 -31.15 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.02 -20.76 51.9 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.0 p -100.86 -4.86 27.02 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -63.93 -27.62 69.27 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.65 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.883 0.373 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.96 6.14 49.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 p -45.51 -44.8 12.87 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 10.5 pttp -47.91 -71.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 57.6 mm-40 -81.01 -22.86 39.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.756 -174.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -48.69 74.48 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.6 -36.63 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.777 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.71 -38.17 90.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.01 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.95 -40.67 68.53 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.969 -0.457 . . . . 0.0 109.822 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.41 -40.37 82.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.8 ttt -62.72 -47.97 81.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.714 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -56.16 -51.73 66.92 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.41 0.55 . . . . 0.0 111.162 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -65.24 -38.55 90.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.752 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.9 mt -84.85 -25.24 28.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.28 -36.02 81.9 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.93 -37.46 87.98 Favored Glycine 0 C--O 1.215 -1.051 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.057 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.06 -39.75 95.67 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.266 1.033 . . . . 0.0 108.753 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -66.41 -35.71 80.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.53 -31.46 72.63 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.405 -0.81 . . . . 0.0 110.305 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.858 0.754 . . . . 0.0 110.127 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.56 -46.03 81.04 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 123.613 1.673 . . . . 0.0 107.042 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -64.58 -18.8 65.21 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.733 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -82.02 -34.12 29.73 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 119.562 1.074 . . . . 0.0 109.436 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -46.98 84.6 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 172.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -67.45 -36.71 81.73 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.99 -1.084 . . . . 0.0 113.571 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.27 -40.9 96.93 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.97 -53.11 61.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.941 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -41.46 79.6 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.647 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.53 -44.09 79.19 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 121.128 -0.982 . . . . 0.0 112.291 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -71.7 -31.17 66.45 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.42 -45.91 85.5 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.64 -48.0 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -62.56 -44.58 95.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.275 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.06 76.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.088 0.471 . . . . 0.0 110.07 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.18 2.95 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 118.459 -1.296 . . . . 0.0 108.324 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.48 -37.14 72.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -171.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -90.8 -46.09 8.43 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.438 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -98.2 -37.95 9.49 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 40.05 63.82 1.0 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -58.05 166.08 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.649 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.04 -23.38 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.7 -14.87 63.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -41.82 -35.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -171.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -55.97 -34.7 65.96 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.213 -0.304 . . . . 0.0 111.729 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -137.47 19.14 2.91 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.44 -15.97 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -134.49 -121.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.009 -0.432 . . . . 0.0 109.903 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.3 mt 62.06 177.37 0.13 Allowed 'General case' 0 C--O 1.244 0.781 0 CA-C-O 122.295 1.045 . . . . 0.0 110.853 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.32 -38.47 63.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.116 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -65.2 -54.9 22.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -30.21 66.36 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.972 -177.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -51.12 71.32 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 122.052 0.929 . . . . 0.0 109.432 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.34 -36.29 83.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.239 -0.913 . . . . 0.0 111.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.07 -38.91 72.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.41 -42.79 64.73 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.69 -31.26 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 174.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.41 -32.44 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.881 -1.137 . . . . 0.0 110.62 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.59 -45.26 72.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.34 75.25 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.834 0.826 . . . . 0.0 110.138 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -64.47 -34.69 78.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.772 -0.58 . . . . 0.0 110.679 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -66.28 -48.61 69.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.94 -48.86 72.61 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.576 0.703 . . . . 0.0 110.232 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.97 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -43.1 97.14 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.676 -0.64 . . . . 0.0 109.517 178.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -60.52 -38.59 84.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.11 -31.18 65.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.16 -0.337 . . . . 0.0 111.731 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.9 -41.85 74.16 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.991 -0.443 . . . . 0.0 110.046 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -63.31 -40.7 98.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.37 -45.84 92.69 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.343 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -41.47 78.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.932 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.34 -5.16 30.42 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.55 -160.56 13.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -155.38 -163.38 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.36 1.62 1.07 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -149.03 166.27 29.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 122.883 1.325 . . . . 0.0 110.672 178.891 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 C--O 1.212 -0.897 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.78 76.25 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.917 -0.489 . . . . 0.0 111.22 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.69 -17.63 61.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.417 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.97 -29.84 65.95 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.17 -32.79 74.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -40.27 83.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.006 0.432 . . . . 0.0 110.041 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.86 -34.96 78.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -76.93 -17.27 59.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.85 -42.4 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.0 -39.33 89.29 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.13 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.28 -44.31 83.93 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.047 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.37 76.28 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.07 -45.92 89.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -64.11 -33.72 76.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.955 -0.466 . . . . 0.0 111.406 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -67.43 -38.47 84.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.07 81.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.31 -49.12 77.13 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.08 -32.28 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.503 . . . . 0.0 111.834 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.61 -42.73 77.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.37 -34.95 79.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.7 -49.55 77.17 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -61.89 -31.02 71.27 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -78.04 -16.94 57.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 p -108.95 1.63 20.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 m -70.71 13.69 0.17 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.905 1.816 . . . . 0.0 115.905 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.13 -20.02 38.87 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -57.54 -33.78 68.47 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -55.84 -56.39 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.027 0.441 . . . . 0.0 111.505 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -79.29 -37.62 37.31 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.462 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -55.0 -53.74 51.96 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.9 mmm -67.68 -41.82 83.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.551 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -62.98 -47.83 81.46 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.39 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.66 -49.77 61.17 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.5 ttp -56.97 -38.94 73.71 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.07 -48.07 81.86 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.952 -0.467 . . . . 0.0 110.801 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -72.04 -33.74 68.24 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.075 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.22 -28.15 66.99 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -83.74 -23.23 31.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.71 -0.619 . . . . 0.0 112.348 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.87 -41.33 97.78 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.65 82.13 Favored Glycine 0 C--O 1.209 -1.432 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.585 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.77 -37.92 87.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.827 1.314 . . . . 0.0 109.168 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -67.69 -37.73 82.72 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -60.8 -30.89 70.33 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.351 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.57 64.11 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.687 -0.633 . . . . 0.0 110.635 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.55 -44.4 74.59 Favored 'General case' 0 C--O 1.268 2.078 0 CA-C-O 124.311 2.005 . . . . 0.0 106.966 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.02 -19.34 65.82 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.171 -1.832 . . . . 0.0 109.211 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -83.54 -26.6 29.98 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 119.723 1.147 . . . . 0.0 109.545 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 65' ' ' ALA . 12.0 mt -59.75 -55.85 29.1 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 101.519 -3.512 . . . . 0.0 101.519 170.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.85 -41.3 87.61 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -173.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.12 -38.31 85.9 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.29 -41.81 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.043 -0.979 . . . . 0.0 111.54 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -39.88 88.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 117.2 -1.8 . . . . 0.0 110.832 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.8 -35.25 80.5 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.642 -1.223 . . . . 0.0 109.646 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.73 -44.18 94.3 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.72 -48.8 79.92 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -57.35 -51.97 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.648 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.76 -29.58 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.96 92.9 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -69.16 -60.12 2.56 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 117.763 -1.575 . . . . 0.0 108.031 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -48.3 -42.52 31.19 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -95.98 -46.39 6.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -99.63 -38.01 8.9 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -167.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 33.85 49.82 0.29 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -60.9 176.42 0.4 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 115.073 1.508 . . . . 0.0 115.073 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.55 -12.68 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.114 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.57 13.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.752 -0.592 . . . . 0.0 111.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -48.87 -33.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.156 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -22.1 66.59 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.981 -0.449 . . . . 0.0 111.842 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -105.61 -25.36 12.3 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.403 0.681 . . . . 0.0 111.112 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 50.2 t -65.05 -13.55 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.403 0.681 . . . . 0.0 111.477 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -49.18 123.9 8.08 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -49.92 -52.79 30.54 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -60.71 -43.96 97.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.356 0.598 . . . . 0.0 110.852 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.5 -48.94 70.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.368 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -44.4 90.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.644 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.97 -48.3 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -56.53 -49.99 73.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.297 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -39.75 74.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.4 -44.8 67.22 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.878 -0.514 . . . . 0.0 111.412 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.456 ' HB ' HD22 ' A' ' 30' ' ' LEU . 8.1 pt -74.52 -17.57 16.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.981 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -74.6 -33.82 62.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.61 -47.16 70.47 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.31 -30.69 70.65 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.539 0.685 . . . . 0.0 110.042 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -66.35 -32.22 73.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.342 -0.849 . . . . 0.0 110.766 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -47.92 67.63 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -53.82 -49.94 67.27 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 110.601 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.27 89.71 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -62.93 -42.09 99.69 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.11 -44.4 96.73 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.03 -24.88 65.14 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 122.191 -0.318 . . . . 0.0 110.682 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -73.17 -43.48 61.4 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -40.47 96.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.28 -40.67 94.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -19.2 46.83 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -58.43 -20.35 44.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.729 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.99 27.89 71.42 Favored Glycine 0 CA--C 1.508 -0.397 0 N-CA-C 117.408 1.723 . . . . 0.0 117.408 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -65.92 113.79 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.14 4.45 10.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -149.72 135.88 18.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.8 0.81 . . . . 0.0 111.254 177.219 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 C--O 1.212 -0.902 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.68 17.95 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.69 -16.81 60.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.949 -1.094 . . . . 0.0 109.717 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.43 -24.77 67.74 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 172.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.22 -23.45 62.02 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 120.807 -1.183 . . . . 0.0 109.942 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -77.47 -29.62 52.8 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.98 -40.21 91.02 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 173.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -33.95 77.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.847 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.04 -42.7 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -63.42 -35.23 79.72 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.068 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -72.48 -33.85 67.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.669 0.668 . . . . 0.0 110.58 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.68 87.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -39.65 95.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.181 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -65.07 -35.96 82.82 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.824 -0.548 . . . . 0.0 110.468 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.66 -45.25 94.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.66 98.43 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.942 0.401 . . . . 0.0 110.397 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.1 -41.97 99.48 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.46 0.647 . . . . 0.0 111.471 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -67.98 -32.45 72.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.555 0.693 . . . . 0.0 110.335 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.18 -36.29 74.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.68 -42.52 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -57.26 -49.84 74.77 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.0 p -65.18 -29.05 69.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.542 0.687 . . . . 0.0 112.163 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -11.25 59.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.136 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 p -128.06 12.09 6.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 m -66.8 -5.53 12.58 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 176.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 120.492 0.187 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.9 m-30 -86.98 -18.64 30.21 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.943 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -45.65 -36.95 5.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -172.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -63.0 1.28 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -82.84 -28.27 30.26 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -56.29 -51.51 67.92 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -40.56 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.722 -0.611 . . . . 0.0 111.434 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -61.19 -48.68 80.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.197 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -69.56 -42.6 74.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.05 -40.21 84.44 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttt -62.66 -51.65 66.41 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -39.76 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.086 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.18 -36.15 74.45 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.91 -0.494 . . . . 0.0 111.775 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.33 -26.32 38.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.55 -35.48 81.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.51 89.69 Favored Glycine 0 C--O 1.216 -1.019 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.1 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.05 -40.53 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.888 0.844 . . . . 0.0 109.244 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.56 -39.74 95.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -62.52 -28.87 70.15 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.638 -0.664 . . . . 0.0 110.498 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.56 68.03 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.915 0.779 . . . . 0.0 110.612 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.06 -41.73 85.96 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 124.052 1.882 . . . . 0.0 106.952 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.59 -18.13 65.2 Favored 'General case' 0 C--O 1.2 -1.502 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.834 175.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -81.08 -35.57 31.55 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.271 0.942 . . . . 0.0 111.101 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -65.95 -43.08 89.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 172.569 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -64.55 -36.79 85.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 118.851 -1.14 . . . . 0.0 113.589 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -46.07 91.03 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.36 -49.91 74.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.597 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -40.8 81.18 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.988 -1.485 . . . . 0.0 113.125 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -49.93 71.59 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 110.588 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -70.54 -27.18 63.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.736 -176.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -57.13 -43.82 82.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.46 -40.68 89.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.583 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.69 74.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.9 -61.88 1.72 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 117.445 -1.702 . . . . 0.0 107.305 172.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.88 -38.44 49.61 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -173.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -95.78 -46.5 6.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -101.11 -19.11 15.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -169.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 40.47 44.54 1.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.5 t -47.67 140.29 6.4 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.44 -6.72 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.053 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -71.75 6.42 1.98 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.59 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.5 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 12.9 p -47.68 -35.6 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.261 0.624 . . . . 0.0 112.662 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -22.57 67.02 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -101.69 -27.78 12.86 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 17.3 t -70.73 -13.13 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.083 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -41.35 123.8 2.2 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.753 1.263 . . . . 0.0 113.164 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -36.1 -58.28 0.67 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 119.85 3.278 . . . . 0.0 119.85 -166.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.82 -54.18 49.85 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 118.812 0.733 . . . . 0.0 112.729 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.81 -47.72 82.24 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -57.9 -50.02 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.307 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 mt -59.17 -49.31 78.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -60.92 -39.68 90.3 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.379 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -45.3 51.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.58 -44.03 75.25 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.743 0.783 . . . . 0.0 110.357 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.423 HG23 HD22 ' A' ' 30' ' ' LEU . 81.6 mt -63.12 -32.3 55.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -68.38 -32.25 72.19 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.057 -1.027 . . . . 0.0 111.653 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.09 -46.79 66.89 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.92 73.24 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.608 0.718 . . . . 0.0 110.989 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -63.72 -37.59 87.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.862 -0.524 . . . . 0.0 109.724 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.1 -46.78 75.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.204 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.07 -41.54 99.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.55 -37.87 87.84 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.203 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.89 -27.58 62.94 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.971 -0.456 . . . . 0.0 109.99 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.64 -46.39 47.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.07 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.31 -32.82 74.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.276 -0.89 . . . . 0.0 108.983 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.75 -49.81 74.91 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.544 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -13.67 62.23 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -98.08 -0.01 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.996 0.427 . . . . 0.0 110.72 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.19 17.34 19.45 Favored Glycine 0 CA--C 1.52 0.406 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.249 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 78.7 p -66.91 129.56 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 50.17 38.0 16.09 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.244 1.021 . . . . 0.0 109.943 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -117.25 -84.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.282 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.808 0.813 . . . . 0.0 113.097 -178.603 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 C--O 1.212 -0.895 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.94 -56.52 12.77 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.97 -22.44 64.1 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.613 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -63.65 -38.62 91.8 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 173.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.57 -25.57 67.48 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.503 -0.748 . . . . 0.0 110.109 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.02 -36.11 72.28 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 121.648 -0.658 . . . . 0.0 109.355 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.69 -41.19 98.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -69.2 -25.04 64.13 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.538 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.57 -40.37 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.2 ttm105 -60.02 -41.58 92.5 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.33 -31.07 69.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.275 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.71 -47.28 75.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.51 -40.64 97.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.484 0.659 . . . . 0.0 110.294 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.64 -38.6 85.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -67.24 -39.75 86.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.98 67.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.099 0.476 . . . . 0.0 110.7 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.18 -33.41 75.41 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -77.5 -23.98 50.17 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.926 -1.109 . . . . 0.0 111.731 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.25 -42.0 80.31 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -41.91 90.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.389 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -57.27 -50.93 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.9 p -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -77.97 -20.25 53.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.911 -0.493 . . . . 0.0 111.324 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -104.89 0.25 27.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.911 0.386 . . . . 0.0 111.857 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -73.02 9.85 1.08 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.7 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 . . . . . 0 C--O 1.222 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -86.88 -14.98 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.2 p -60.24 -27.49 67.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -61.66 -55.41 30.78 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.35 -27.57 34.87 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.362 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -62.27 -51.37 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 tpt -65.28 -38.95 91.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.46 -43.24 97.11 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.62 -47.11 76.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 82.9 mtp -55.69 -48.21 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.747 0.308 . . . . 0.0 110.279 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -63.12 -54.19 41.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.235 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -58.41 -46.68 85.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 0.0 111.699 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -74.64 -21.71 59.3 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.329 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 ' HD3' ' A' ' 76' ' ' ARG . 14.3 mt -80.64 -29.43 36.74 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.149 -0.969 . . . . 0.0 111.73 173.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -65.25 -39.29 92.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.13 -40.11 97.78 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.308 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.32 -39.84 94.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.104 0.952 . . . . 0.0 108.848 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -66.42 -35.56 80.61 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.654 -0.654 . . . . 0.0 110.105 176.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -63.61 -33.39 75.51 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.97 83.81 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.493 -0.754 . . . . 0.0 110.794 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HA ' HD13 ' A' ' 30' ' ' LEU . 68.7 mt-10 -63.97 -43.26 96.31 Favored 'General case' 0 C--O 1.276 2.483 0 CA-C-O 123.693 1.711 . . . . 0.0 108.652 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -58.22 -40.74 82.44 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.379 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.4 -30.4 69.31 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 119.115 0.87 . . . . 0.0 112.615 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 27' ' ' GLU . 4.7 mp -58.36 -60.58 3.56 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.14 -26.58 42.78 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -170.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.27 -29.8 57.58 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.5 -37.89 74.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.457 HE22 ' CG2' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.71 -57.5 10.61 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.526 173.173 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.04 -42.8 99.56 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.465 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -63.6 -41.49 98.31 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 122.082 -0.386 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.53 -46.48 85.83 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -59.95 -43.38 95.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.623 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -71.11 -35.96 71.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.636 0.653 . . . . 0.0 112.188 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.15 86.18 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -59.13 3.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.71 -1.196 . . . . 0.0 108.006 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -46.96 -45.05 20.57 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -95.99 -46.35 6.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -101.16 -22.52 14.66 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -168.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.23 54.09 0.99 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -41.53 156.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.56 -18.12 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.258 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -81.92 18.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.146 -0.346 . . . . 0.0 111.778 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -53.72 -33.55 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.11 -39.54 86.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -70.61 -35.87 73.2 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.25 -14.27 15.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -38.39 105.0 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.156 1.455 . . . . 0.0 114.458 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.1 mt -40.35 -51.11 2.82 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -164.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.52 -65.72 0.61 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.826 1.194 . . . . 0.0 112.158 -174.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -65.15 -42.41 93.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -57.93 -56.27 24.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.579 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.79 -37.32 87.2 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.809 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.11 -46.86 88.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.578 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.32 -35.14 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.031 0.443 . . . . 0.0 111.155 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -56.53 19.73 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 123.575 0.75 . . . . 0.0 109.907 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.457 ' CG2' HE22 ' A' ' 34' ' ' GLN . 16.2 pt -68.32 -19.53 24.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.377 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -75.99 -32.77 59.61 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 119.295 0.952 . . . . 0.0 108.664 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.84 -45.89 66.82 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.48 77.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.741 0.781 . . . . 0.0 109.637 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.63 -32.88 74.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.901 0.48 . . . . 0.0 111.193 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -65.43 -50.71 64.4 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -53.26 -47.07 69.41 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.982 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.68 91.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.49 -41.76 98.55 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.85 -43.81 97.84 Favored 'General case' 0 C--O 1.206 -1.197 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.06 -33.57 76.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.393 . . . . 0.0 110.498 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -66.04 -43.77 86.56 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.925 -0.484 . . . . 0.0 110.347 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.31 -30.71 65.04 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.641 -0.662 . . . . 0.0 110.794 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -39.13 82.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD3' HD21 ' A' ' 20' ' ' LEU . 36.7 ttp180 -60.05 -36.85 78.23 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 175.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -79.75 5.44 13.47 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.81 179.37 45.73 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.462 HG23 ' H ' ' A' ' 81' ' ' ASN . 6.9 t -148.02 -175.06 4.74 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.288 -1.125 . . . . 0.0 110.978 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.52 -21.44 60.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.462 ' H ' HG23 ' A' ' 79' ' ' THR . 24.1 t-20 -135.16 120.01 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -177.595 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.198 -1.634 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.87 68.54 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.848 1.658 . . . . 0.0 111.994 -174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -68.57 -22.94 64.44 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.072 -1.017 . . . . 0.0 110.848 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.27 -36.05 71.58 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.31 -21.19 61.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.8 tp -74.22 -33.53 63.4 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -64.28 -39.01 93.07 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -71.07 -20.87 62.31 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.875 -0.516 . . . . 0.0 112.347 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -69.27 -42.04 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 171.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -63.83 -33.78 76.44 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.25 -46.8 79.11 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 117.965 0.348 . . . . 0.0 110.178 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.42 69.37 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.549 0.69 . . . . 0.0 109.249 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.69 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -64.42 -32.79 74.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.831 -0.543 . . . . 0.0 111.475 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -64.32 -44.78 90.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.91 91.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.68 0.752 . . . . 0.0 110.525 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.12 -49.18 78.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.932 -0.48 . . . . 0.0 110.719 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.81 -44.0 97.3 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.151 0.501 . . . . 0.0 110.503 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -58.37 -46.28 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.4 p -67.18 -27.07 66.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.841 -0.537 . . . . 0.0 112.063 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.47 -15.19 59.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.197 -0.314 . . . . 0.0 110.648 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 p -111.55 -14.37 13.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.7 m -60.49 -50.55 73.1 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 -174.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.117 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 121.594 0.711 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -87.01 12.16 11.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -57.62 -34.92 69.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -39.48 92.28 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.659 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.18 -29.73 26.37 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -57.9 -46.03 85.57 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.46 -43.24 81.53 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.606 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.75 -47.15 86.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -74.71 -30.14 61.43 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 ttp -59.91 -44.11 94.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.79 -49.38 76.58 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.506 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -59.46 -53.68 55.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.492 0.663 . . . . 0.0 111.943 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -88.15 -15.23 36.63 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -167.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 20' ' ' LEU . 16.2 mt -85.71 -30.68 22.95 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.207 -1.397 . . . . 0.0 108.798 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.27 -35.6 80.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.482 -2.414 . . . . 0.0 104.482 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.51 -37.79 94.89 Favored Glycine 0 C--O 1.213 -1.171 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.103 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.59 -41.39 96.27 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.157 0.978 . . . . 0.0 108.48 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.95 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -26.58 67.53 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.996 174.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.59 64.92 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HA ' HD13 ' A' ' 30' ' ' LEU . 50.6 tt0 -64.35 -45.1 89.28 Favored 'General case' 0 C--O 1.271 2.192 0 CA-C-O 124.286 1.993 . . . . 0.0 108.016 173.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -65.28 -18.75 65.56 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.483 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 p -77.17 -39.11 50.13 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 119.549 1.068 . . . . 0.0 108.972 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.1 mp -54.12 -56.32 19.21 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 102.585 -3.117 . . . . 0.0 102.585 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 34' ' ' GLN . 6.7 m-70 -67.18 -35.35 79.46 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -173.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.3 -36.05 82.88 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.041 0.837 . . . . 0.0 109.09 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -49.9 65.15 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -65.63 -36.6 84.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.055 -1.858 . . . . 0.0 111.622 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.37 -44.07 95.82 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.138 0.881 . . . . 0.0 111.078 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HD3' HD13 ' A' ' 107' ' ' LEU . 74.8 ttt180 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.769 -0.582 . . . . 0.0 109.937 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.8 -47.17 75.97 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -61.24 -42.42 98.59 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.83 -40.0 91.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.893 0.315 . . . . 0.0 111.032 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.07 97.4 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.41 -58.8 5.44 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 117.871 -1.532 . . . . 0.0 110.526 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -51.95 -44.06 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -172.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.7 -46.56 8.91 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.431 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.52 -38.08 8.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -172.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 28.95 54.56 0.1 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.431 1.082 . . . . 0.0 111.946 -176.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -77.13 -128.73 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.386 -171.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.6 m -60.88 -13.43 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 120.61 -1.306 . . . . 0.0 109.609 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.07 -33.72 72.45 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.645 1.178 . . . . 0.0 112.204 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.07 -25.46 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.502 0.592 . . . . 0.0 111.572 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -97.65 -8.15 29.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.251 -0.281 . . . . 0.0 111.592 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -135.23 1.67 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -50.62 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.208 0.913 . . . . 0.0 113.201 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.6 m80 49.68 53.03 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -39.72 -44.98 1.64 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.15 -48.38 78.69 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.471 -0.768 . . . . 0.0 110.005 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.65 -43.98 97.43 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -58.91 -56.48 21.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.689 0.618 . . . . 0.0 111.369 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.33 -47.37 85.64 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.43 -32.4 74.01 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 119.82 -0.752 . . . . 0.0 112.035 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.66 -46.59 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 119.099 0.863 . . . . 0.0 111.802 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -62.61 -43.88 97.69 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.7 pt -73.24 -17.64 17.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 120.857 -1.152 . . . . 0.0 113.637 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -73.45 -35.57 65.76 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.91 -43.57 74.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.66 73.95 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.803 0.811 . . . . 0.0 109.994 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.58 -30.71 71.74 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 121.589 -0.695 . . . . 0.0 110.373 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -70.59 -46.37 63.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.77 -53.11 56.91 Favored 'General case' 0 C--O 1.25 1.094 0 CA-C-O 121.517 0.675 . . . . 0.0 110.269 172.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.26 -38.3 76.67 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -64.3 -38.52 91.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.977 -0.452 . . . . 0.0 110.099 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -69.47 -39.32 77.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.46 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.07 -38.45 91.1 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.027 0.918 . . . . 0.0 108.806 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -65.66 -47.96 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.221 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.89 -31.5 72.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.901 -0.499 . . . . 0.0 110.121 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.52 -43.67 89.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -59.95 -30.52 69.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -79.18 -5.62 54.66 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 122.004 -0.435 . . . . 0.0 111.156 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.11 -156.55 10.31 Favored Glycine 0 CA--C 1.521 0.419 0 CA-C-O 121.827 0.681 . . . . 0.0 113.577 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 81' ' ' ASN . 10.0 t -165.35 -167.19 1.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.17 4.51 0.33 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.426 ' H ' HG23 ' A' ' 79' ' ' THR . 47.8 t-20 -82.08 84.66 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 CA--C 1.546 0.81 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.359 178.446 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.61 -56.84 12.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.806 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.82 -16.84 59.32 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.752 -1.218 . . . . 0.0 109.994 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.66 -19.87 43.16 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.76 -51.93 67.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.97 -41.33 97.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.822 0.344 . . . . 0.0 110.216 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.64 -39.32 91.31 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.263 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.02 -34.31 64.08 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.611 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.15 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -56.45 -50.17 72.48 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.35 -27.92 59.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.35 -55.22 22.63 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.55 -43.22 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.991 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -62.85 -38.82 92.34 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -64.32 -46.7 82.41 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.62 80.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.509 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.15 -48.4 78.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.174 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -62.84 -40.58 97.87 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.55 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.49 -50.22 64.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD13 ' HD3' ' A' ' 36' ' ' ARG . 12.0 mt -60.59 -43.52 97.29 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.44 -53.19 61.1 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -57.45 -43.42 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.41 -20.69 50.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.534 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 -7.17 54.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.8 m -67.06 -24.08 65.94 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 120.707 0.289 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -86.98 -6.3 58.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -56.55 -32.62 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -59.39 -56.44 22.05 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -77.34 -32.76 55.36 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.966 -0.459 . . . . 0.0 109.824 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -58.92 -49.0 79.48 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 117.972 0.351 . . . . 0.0 110.099 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.9 mmm -69.31 -38.56 78.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.772 -0.58 . . . . 0.0 110.858 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.81 -43.57 98.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.72 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.76 -46.41 78.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.558 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 10.6 ttt -55.8 -46.09 78.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.932 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtm -66.06 -42.24 89.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.065 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.09 -42.32 94.18 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.123 0.487 . . . . 0.0 111.362 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.04 -24.35 43.66 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 20' ' ' LEU . 22.2 mt -79.4 -27.07 41.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.262 -0.899 . . . . 0.0 110.669 174.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.23 -44.88 95.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 170.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -38.97 95.69 Favored Glycine 0 C--O 1.209 -1.418 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.361 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.38 -41.86 93.31 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.406 1.103 . . . . 0.0 110.22 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.46 -35.25 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.31 -20.57 60.77 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.31 65.81 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.65 -41.36 88.37 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 123.4 1.571 . . . . 0.0 107.039 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -60.08 -34.75 73.88 Favored 'General case' 0 C--O 1.192 -1.956 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.553 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 p -68.6 -41.74 79.14 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 120.086 1.312 . . . . 0.0 112.115 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -50.71 72.78 Favored 'General case' 0 C--O 1.269 2.09 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -69.42 -29.39 67.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 117.434 -1.706 . . . . 0.0 115.319 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -70.08 -34.8 73.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.64 -47.9 83.29 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -34.4 69.09 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 116.747 -1.981 . . . . 0.0 114.379 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.34 -43.23 91.56 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.868 -1.145 . . . . 0.0 109.148 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.67 -19.8 62.03 Favored 'General case' 0 C--O 1.199 -1.595 0 O-C-N 121.48 -0.762 . . . . 0.0 109.698 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 1.7 tp -69.15 -44.77 71.63 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-N 119.68 1.127 . . . . 0.0 108.196 169.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -43.91 76.73 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.9 -36.17 72.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.9 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -83.19 -63.83 1.28 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 115.197 -2.601 . . . . 0.0 109.084 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -60.41 -40.65 91.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -96.02 -36.49 11.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.506 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -96.79 -37.67 10.18 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.694 2.479 . . . . 0.0 117.694 -170.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 46.73 54.96 8.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.519 0.676 . . . . 0.0 111.917 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -62.83 169.96 2.91 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.416 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 m -57.67 -26.34 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.06 19.44 18.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.9 -27.71 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.58 -29.41 70.01 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.236 0.541 . . . . 0.0 111.822 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -149.1 34.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -53.4 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 16.6 m170 -124.16 -60.19 1.44 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 111.294 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tp 61.29 -179.55 0.11 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.143 -174.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.35 80.1 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.194 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.326 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.299 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.24 -46.7 85.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.225 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -59.46 -39.73 84.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.887 -0.508 . . . . 0.0 110.026 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -72.66 -41.52 65.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.22 -41.26 77.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 109.814 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.417 HG21 HD13 ' A' ' 62' ' ' ILE . 7.1 pt -73.31 -17.61 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 118.341 -1.343 . . . . 0.0 110.209 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.37 -30.67 57.66 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 171.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.5 tp -67.63 -43.79 79.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 173.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.42 87.42 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.822 0.82 . . . . 0.0 110.528 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -65.4 -31.04 71.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.067 -1.021 . . . . 0.0 109.698 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -48.69 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -51.94 -45.06 64.19 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 122.362 -0.212 . . . . 0.0 110.722 171.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.07 86.8 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.84 -42.78 99.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.56 88.39 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -74.32 -24.09 59.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.984 -0.448 . . . . 0.0 111.31 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -43.94 63.95 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -63.05 -42.0 99.6 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.43 -42.99 95.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.538 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -16.86 63.57 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.559 -0.713 . . . . 0.0 110.931 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -97.75 7.49 46.31 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.086 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.01 152.56 50.31 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-O 122.227 0.904 . . . . 0.0 114.397 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 p -85.53 167.17 15.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -60.33 -29.72 69.06 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.468 0.651 . . . . 0.0 111.024 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 128.6 22.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.552 1.052 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -176.512 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 10.7 p90 . . . . . 0 C--O 1.206 -1.234 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.71 -56.43 9.31 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 119.272 0.942 . . . . 0.0 110.632 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -71.69 -18.01 62.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.91 -1.119 . . . . 0.0 108.812 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.72 -30.52 69.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.12 -26.65 67.55 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.3 tp -73.89 -35.24 64.67 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.335 -0.853 . . . . 0.0 109.635 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.69 -38.23 90.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.79 -31.52 69.49 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.436 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.18 -45.59 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -59.79 -42.11 92.67 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.72 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -71.75 -29.14 64.19 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.877 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.77 66.02 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -42.11 98.6 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.182 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -63.99 -34.53 78.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.21 0.529 . . . . 0.0 111.744 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -65.77 -42.56 90.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.79 98.63 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 123.28 0.362 . . . . 0.0 110.168 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.87 -50.84 69.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.517 0.675 . . . . 0.0 111.18 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.15 -53.81 50.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.14 -35.23 76.52 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.9 -50.9 71.53 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -60.49 -36.17 77.69 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -78.09 -20.59 51.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.294 0.568 . . . . 0.0 110.072 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.4 p -103.46 5.67 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.3 m -62.44 -11.93 18.83 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.4 t90 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 174.86 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 . . . . . 0 C--O 1.216 -0.668 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -21.06 28.22 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.912 0.863 . . . . 0.0 109.884 176.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -59.99 -39.46 85.82 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -45.75 91.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -82.78 -31.51 28.23 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -63.13 -43.33 98.69 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.536 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.28 -39.13 93.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.982 -0.449 . . . . 0.0 109.948 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.71 -43.55 93.09 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.677 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -63.11 -51.23 67.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -64.76 -26.45 68.36 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.305 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.3 ttp -63.87 -44.95 91.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -66.52 -50.17 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.137 0.97 . . . . 0.0 110.366 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.06 -34.02 77.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.263 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -88.99 -27.51 20.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.407 -0.808 . . . . 0.0 112.99 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.94 -35.0 74.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 173.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.45 91.15 Favored Glycine 0 C--O 1.211 -1.34 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.7 -46.46 88.05 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.858 0.837 . . . . 0.0 108.973 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -66.15 -35.74 81.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -66.71 -26.79 67.18 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.832 -0.542 . . . . 0.0 111.347 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.0 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -68.14 -41.46 81.58 Favored 'General case' 0 C--O 1.272 2.246 0 CA-C-O 123.665 1.698 . . . . 0.0 108.874 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.7 -33.45 75.13 Favored 'General case' 0 C--O 1.194 -1.84 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.365 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 p -68.57 -43.65 76.11 Favored 'General case' 0 C--O 1.203 -1.372 0 CA-C-N 119.174 0.897 . . . . 0.0 111.817 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -46.49 89.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -73.34 -24.32 60.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 116.206 -2.197 . . . . 0.0 115.021 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.58 -40.21 76.88 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -49.13 75.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.4 -57.35 13.15 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.864 -1.135 . . . . 0.0 113.382 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.17 -43.82 97.2 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -73.45 -34.53 65.45 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.109 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.13 -37.97 72.3 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.423 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -57.07 -42.61 80.97 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -71.21 -35.1 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.57 82.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.77 -59.06 3.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 171.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.06 -50.14 11.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.44 -40.96 8.43 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -97.85 -6.21 32.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 71.26 -34.66 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m 69.96 126.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.884 1.365 . . . . 0.0 109.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.15 -35.7 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.47 46.0 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.753 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.28 -28.32 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.35 -27.29 67.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.769 -0.582 . . . . 0.0 112.428 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.14 45.01 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.009 -171.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -44.4 -44.25 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.134 0.574 . . . . 0.0 112.478 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -150.8 -55.47 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.944 0.402 . . . . 0.0 111.309 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt 58.25 -175.04 0.08 Allowed 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.538 0.685 . . . . 0.0 109.225 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -56.83 -42.38 79.52 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.471 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.19 -56.16 24.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -28.82 48.79 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.509 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.24 -47.41 86.09 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -60.54 -38.0 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -74.08 -33.35 63.62 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.4 -52.02 67.01 Favored 'General case' 0 C--O 1.253 1.255 0 CA-C-O 123.168 1.461 . . . . 0.0 107.812 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.67 -33.73 58.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.544 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.47 -35.35 77.43 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.668 0.667 . . . . 0.0 111.866 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.82 -48.51 66.03 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.52 71.33 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.516 0.674 . . . . 0.0 110.328 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -64.86 -34.4 78.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -69.21 -48.15 62.83 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -51.28 -48.86 62.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 122.654 1.216 . . . . 0.0 111.301 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.62 73.18 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.253 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -62.48 -43.53 98.58 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -61.95 -46.53 88.89 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.291 0.567 . . . . 0.0 109.529 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.13 -29.81 70.7 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.158 0.504 . . . . 0.0 111.292 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -79.9 -32.24 40.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.78 -35.04 76.55 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.14 76.88 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -56.57 -22.33 32.8 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.308 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.38 -30.45 64.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 117.758 0.254 . . . . 0.0 110.633 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.56 31.15 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 N-CA-C 117.426 1.73 . . . . 0.0 117.426 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.7 m -76.31 128.31 34.62 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 117.705 0.752 . . . . 0.0 111.976 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -103.64 -36.12 8.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.811 0.815 . . . . 0.0 109.758 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -167.28 -162.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.233 0 CA-C-O 122.219 1.009 . . . . 0.0 111.0 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--O 1.212 -0.882 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -56.63 14.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.188 -0.945 . . . . 0.0 111.944 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -74.28 -19.37 60.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.18 -32.63 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.8 -26.69 67.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.091 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.19 -31.14 60.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -36.88 78.3 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.42 -26.44 61.85 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.499 -0.751 . . . . 0.0 111.262 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.49 -42.99 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -59.18 -42.75 91.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -70.31 -32.24 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.89 -54.0 50.4 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.38 -44.32 95.75 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.13 -40.59 94.36 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.877 0.471 . . . . 0.0 111.654 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.61 -42.36 95.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.87 -43.58 75.08 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.84 -49.81 74.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.103 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -74.93 -18.41 60.4 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.45 -48.83 30.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -36.21 83.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.847 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.24 -47.45 83.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -63.54 -31.34 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.281 -0.262 . . . . 0.0 111.652 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -73.9 -24.79 59.75 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.569 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -92.94 -12.34 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.807 0.337 . . . . 0.0 111.777 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.2 m -75.15 -11.48 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 112.505 -178.327 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 120.999 0.428 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -108.11 31.29 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.837 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -52.87 -32.13 43.24 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.114 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -68.48 0.19 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -28.94 53.97 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.903 -0.498 . . . . 0.0 110.55 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -60.9 -47.53 85.99 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.606 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mtm -71.4 -40.88 70.25 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.75 -0.594 . . . . 0.0 109.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -56.59 -48.29 77.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.626 0.25 . . . . 0.0 110.457 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -66.35 -47.49 73.28 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -53.83 -46.61 71.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.099 0.409 . . . . 0.0 111.051 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.03 -40.27 95.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.096 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -72.53 -37.26 68.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.311 -0.556 . . . . 0.0 112.454 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.08 -39.53 90.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.09 -22.8 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.073 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.55 -37.58 85.38 Favored Glycine 0 C--O 1.212 -1.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.27 -41.31 96.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.363 1.082 . . . . 0.0 109.586 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.35 -34.03 77.21 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -68.92 -23.02 64.12 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 121.139 -0.976 . . . . 0.0 111.38 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.76 63.61 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -65.72 -45.42 82.78 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 123.819 1.771 . . . . 0.0 108.325 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -59.48 -36.28 75.72 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.801 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 p -67.43 -38.23 84.24 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 119.271 0.941 . . . . 0.0 113.052 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -45.5 77.17 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -66.75 -38.99 87.74 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.38 -36.09 82.55 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.83 -43.73 87.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.513 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.81 82.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 117.148 -1.821 . . . . 0.0 109.347 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.2 -32.19 73.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.815 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -72.74 -29.22 63.16 Favored 'General case' 0 C--O 1.206 -1.208 0 O-C-N 121.862 -0.524 . . . . 0.0 110.008 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.45 -46.5 66.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -54.29 -49.46 69.55 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -62.26 -43.52 98.64 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.635 0.255 . . . . 0.0 111.638 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.18 76.75 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -77.44 -63.96 1.25 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 115.997 -2.281 . . . . 0.0 108.911 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.91 -43.88 66.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -95.78 -39.06 10.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.78 -33.99 11.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -168.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 36.11 50.65 0.72 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -67.1 -179.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.124 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.6 m -58.82 -16.46 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.95 -0.469 . . . . 0.0 111.87 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.87 -9.67 58.58 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.85 -32.37 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -176.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.36 -38.19 24.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.913 0.863 . . . . 0.0 110.3 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.73 21.99 9.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.033 -173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.7 -34.04 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.1 m80 47.85 54.28 10.19 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -38.1 -42.25 0.64 Allowed 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.6 -49.18 78.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.902 0.858 . . . . 0.0 111.716 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.49 -37.42 77.22 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.169 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -46.79 79.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.192 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.81 -44.96 96.19 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.57 -45.01 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.229 -0.588 . . . . 0.0 112.082 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -82.64 -30.99 28.98 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.38 -43.64 73.14 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.97 -33.21 62.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.05 -36.02 81.13 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.686 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.92 -48.32 71.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.81 76.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.324 0.583 . . . . 0.0 110.357 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.994 -0.441 . . . . 0.0 110.851 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.99 -52.92 57.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -52.17 -45.27 65.03 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.309 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.55 92.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -63.28 -41.36 99.0 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.16 -39.08 93.24 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.95 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.41 -33.4 72.94 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.585 -0.697 . . . . 0.0 109.834 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.62 -48.09 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.17 -31.63 69.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.764 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -60.45 -46.39 90.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -33.31 73.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.552 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -84.88 5.74 27.65 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.477 0.656 . . . . 0.0 110.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -155.96 13.39 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.905 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -135.22 165.13 26.13 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.68 11.59 0.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.71 143.03 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.542 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--O 1.208 -1.081 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.45 -59.5 3.94 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.511 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 120.452 -1.405 . . . . 0.0 109.377 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.5 -34.06 76.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -66.67 -34.12 77.15 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.0 -33.63 74.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.23 -39.87 93.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.48 -25.24 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.739 -0.601 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.38 -42.95 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -60.96 -38.15 84.89 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -71.82 -30.67 65.74 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 118.549 0.613 . . . . 0.0 111.998 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.71 66.27 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.7 -34.29 72.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.127 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -69.17 -32.5 71.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.0 -0.438 . . . . 0.0 111.855 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -63.91 -42.3 97.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.38 90.88 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.257 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.21 -47.28 86.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.774 0.429 . . . . 0.0 111.441 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.9 -32.94 72.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.532 . . . . 0.0 110.721 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.05 -42.76 93.94 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.56 -38.52 90.4 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -58.74 -50.2 74.8 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 p -60.3 -35.93 76.71 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.862 0.363 . . . . 0.0 111.211 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.07 -3.54 42.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.716 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 p -126.87 7.28 6.7 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.701 0.4 . . . . 0.0 111.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 m -69.05 5.73 1.11 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.9 m95 . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.621 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -102.8 15.16 30.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.54 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 p -55.46 -37.28 67.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -42.69 99.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 111.51 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -76.66 -39.7 51.36 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -59.77 -41.22 90.6 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.271 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.5 ttm -66.25 -49.12 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.733 0.242 . . . . 0.0 110.497 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.92 -49.85 76.26 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.362 0.601 . . . . 0.0 110.356 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -61.98 -55.6 27.68 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.432 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -58.44 -35.51 72.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.946 1.248 . . . . 0.0 111.569 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.8 tpp -60.53 -49.41 77.64 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -83.77 -31.24 26.05 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -72.08 -36.35 69.51 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.67 -22.09 32.22 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.91 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.14 -39.99 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 169.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.75 -37.53 92.43 Favored Glycine 0 C--O 1.218 -0.869 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.636 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.59 -40.76 96.1 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.431 1.115 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -67.54 -36.11 80.36 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -61.88 -31.48 71.77 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.747 -0.595 . . . . 0.0 109.498 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.74 63.33 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.513 -0.742 . . . . 0.0 110.906 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . 51.5 tt0 -67.47 -45.07 77.0 Favored 'General case' 0 C--O 1.276 2.478 0 CA-C-O 124.236 1.969 . . . . 0.0 107.301 174.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -59.11 -33.26 70.63 Favored 'General case' 0 C--O 1.191 -2.021 0 CA-C-N 112.667 -2.061 . . . . 0.0 107.715 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -72.11 -31.03 65.66 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 119.568 1.076 . . . . 0.0 112.06 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 27' ' ' GLU . 5.7 mp -59.56 -55.7 31.21 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 171.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.3 -31.72 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -69.43 -36.12 76.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.45 -51.13 68.71 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -37.39 84.31 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 117.266 -1.774 . . . . 0.0 112.478 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -48.01 80.04 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.665 -0.647 . . . . 0.0 111.365 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -35.58 78.07 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.181 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.23 -49.08 77.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.01 -44.73 96.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.04 -49.09 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.964 0.411 . . . . 0.0 110.465 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.62 69.84 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.79 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -69.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 117.355 -1.738 . . . . 0.0 107.204 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -54.03 -36.26 62.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -171.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.96 -46.26 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.91 -17.67 17.47 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 68.0 -13.27 0.28 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p 65.94 153.59 0.07 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.53 1.532 . . . . 0.0 114.492 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.13 -13.1 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -83.47 14.65 3.54 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.234 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -29.94 -47.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.57 -25.24 67.89 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 64.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -44.5 -52.33 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 5.2 p80 -148.73 -72.81 0.19 Allowed 'General case' 0 C--O 1.239 0.524 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.528 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 53.7 mt 56.88 -170.9 0.09 Allowed 'General case' 0 C--O 1.254 1.32 0 CA-C-O 122.014 0.911 . . . . 0.0 111.398 -176.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.01 70.14 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.175 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -57.93 -56.07 26.79 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -72.4 -33.54 67.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 118.637 -1.225 . . . . 0.0 110.708 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.45 -44.82 95.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.435 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -65.12 -38.29 90.19 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.95 -29.8 61.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -77.31 -40.88 42.74 Favored 'General case' 0 C--O 1.248 0.995 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.71 -35.08 57.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -67.48 -34.01 76.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.728 1.149 . . . . 0.0 110.709 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -51.27 67.13 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.5 81.16 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.924 0.869 . . . . 0.0 111.516 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.46 -36.29 83.44 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.78 -0.575 . . . . 0.0 110.183 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -67.32 -47.29 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -52.31 -56.17 16.57 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.874 0.368 . . . . 0.0 111.055 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 -42.47 83.76 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -63.87 -40.96 97.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.831 -0.543 . . . . 0.0 109.548 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -68.78 -31.32 70.25 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.302 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -71.04 -31.07 67.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 118.527 0.603 . . . . 0.0 109.76 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -67.34 -44.43 79.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.63 -34.03 77.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.005 0.431 . . . . 0.0 109.921 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 tp -64.82 -45.36 86.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.449 0.643 . . . . 0.0 109.987 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.3 tpt85 -59.1 -31.09 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.296 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -76.42 -6.64 52.54 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.96 163.62 54.93 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.928 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 t -135.14 116.2 14.25 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.48 -47.63 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 120.843 3.646 . . . . 0.0 120.843 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.22 167.17 29.46 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 119.698 1.135 . . . . 0.0 113.237 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -175.613 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.74 -61.46 2.06 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.93 -16.86 57.85 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 120.644 -1.285 . . . . 0.0 108.534 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.71 -34.0 75.01 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 171.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.49 70.94 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.434 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.14 -36.51 82.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.12 -39.38 93.92 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -71.12 -23.01 62.01 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.594 -0.691 . . . . 0.0 111.512 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 t -70.16 -41.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.4 -38.39 83.84 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -71.87 -31.76 66.79 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.39 73.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.25 -33.27 75.58 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.909 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -68.16 -35.2 77.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -66.2 -41.21 90.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.79 96.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.01 -49.43 76.88 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.432 0.693 . . . . 0.0 109.689 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.21 -42.98 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.26 -44.24 95.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.06 -42.53 98.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.702 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.85 -49.92 75.91 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p -61.56 -34.05 74.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.055 0.455 . . . . 0.0 111.859 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.01 -20.74 51.94 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.256 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.6 p -95.05 -13.04 25.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.4 m -68.41 9.83 0.3 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 120.517 0.199 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -98.59 4.82 48.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -45.72 -43.1 12.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.62 -56.13 26.14 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 60.6 mm-40 -79.0 -27.42 43.33 Favored 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.952 -0.467 . . . . 0.0 109.856 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.8 -49.14 78.7 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.04 -42.42 89.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.72 0.295 . . . . 0.0 110.586 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -63.4 -40.39 97.09 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.281 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -64.95 -51.35 62.31 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -55.32 -39.71 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.442 0.464 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.46 -47.37 82.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.307 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -60.63 -42.98 97.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.662 0.268 . . . . 0.0 110.284 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.74 -43.86 87.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.006 0.432 . . . . 0.0 110.733 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.77 -26.29 54.34 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.9 -35.35 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.13 -38.83 88.51 Favored Glycine 0 C--O 1.212 -1.26 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.691 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.01 -41.08 97.58 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.158 0.979 . . . . 0.0 109.385 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -63.04 -39.26 94.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -65.29 -25.1 67.49 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.613 -0.68 . . . . 0.0 111.836 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.28 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.88 0.764 . . . . 0.0 109.37 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.8 -42.56 90.56 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 123.669 1.7 . . . . 0.0 107.881 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.88 -29.67 70.93 Favored 'General case' 0 C--O 1.202 -1.441 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.027 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -72.48 -42.91 64.38 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 118.957 0.799 . . . . 0.0 112.443 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.86 82.3 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -65.16 -37.24 86.75 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.171 -1.412 . . . . 0.0 113.916 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.15 -44.22 92.81 Favored 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -54.66 -52.04 63.6 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.401 HE22 ' CG1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.28 -44.26 72.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.934 178.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -40.9 91.84 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.32 0.964 . . . . 0.0 110.388 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.85 -37.76 73.15 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.642 0.377 . . . . 0.0 110.148 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.18 -48.48 73.31 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -57.95 -44.3 86.9 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.596 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -65.28 -46.87 78.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.689 0.28 . . . . 0.0 111.206 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.06 74.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -63.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 117.337 -1.745 . . . . 0.0 109.821 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.41 -38.87 75.0 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -170.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -91.81 -46.04 8.08 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.069 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -97.57 -39.54 9.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 142.11 -58.69 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.987 2.115 . . . . 0.0 111.352 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 m 69.58 139.59 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.918 1.287 . . . . 0.0 110.516 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.91 -40.76 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.78 41.91 0.82 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.63 126.75 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 66.27 -43.23 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.933 1.693 . . . . 0.0 113.166 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -66.17 -7.37 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.795 1.238 . . . . 0.0 113.218 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.19 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.363 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 77.0 m80 47.88 73.38 0.21 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.52 -38.94 15.03 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.674 1.124 . . . . 0.0 110.924 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.04 -46.8 87.32 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -64.73 -45.8 84.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.077 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.7 mt -59.08 -47.18 86.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.38 -48.79 76.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.926 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.65 -48.39 66.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.83 -42.72 63.5 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.407 0.622 . . . . 0.0 111.773 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.401 ' CG1' HE22 ' A' ' 34' ' ' GLN . 63.5 mt -64.45 -36.79 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -67.19 -28.91 68.49 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.148 1.34 . . . . 0.0 111.259 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -50.11 62.36 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.11 73.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.474 0.654 . . . . 0.0 110.53 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -65.57 -36.52 84.01 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.978 -0.451 . . . . 0.0 109.913 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -63.67 -51.14 66.45 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.17 -45.88 68.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 111.437 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.17 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -63.41 -41.67 98.73 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -61.26 -39.65 91.17 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.0 -24.29 60.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.543 0.211 . . . . 0.0 111.071 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -73.24 -46.48 49.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.77 -32.52 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -48.52 73.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -16.48 64.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.46 7.19 47.12 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.675 175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.69 173.24 45.28 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -136.84 179.82 6.14 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.763 -0.846 . . . . 0.0 109.531 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.67 -27.53 69.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -87.27 92.86 9.22 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.244 0.545 . . . . 0.0 110.465 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.318 -0.778 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 171.527 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.117 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.82 12.06 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.105 -0.997 . . . . 0.0 113.013 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -76.48 -16.92 59.55 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.658 -1.276 . . . . 0.0 108.769 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.7 -30.17 71.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.64 -22.9 65.3 Favored 'General case' 0 C--O 1.221 -0.435 0 O-C-N 121.074 -1.016 . . . . 0.0 109.698 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.03 -33.11 61.73 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.61 -35.45 78.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.78 -33.07 74.8 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.621 -0.674 . . . . 0.0 110.856 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.45 -43.27 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.08 -43.45 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -72.16 -30.0 64.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.73 69.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.06 -39.49 92.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.423 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -62.39 -36.11 81.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -68.4 -38.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.546 -0.721 . . . . 0.0 109.252 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.53 95.75 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.198 0.523 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.65 -46.68 88.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.746 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -37.87 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.804 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.89 -51.98 59.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.82 -43.36 80.93 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.271 0.558 . . . . 0.0 111.079 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -47.09 82.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -66.34 -28.49 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -78.09 -16.51 57.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.1 p -114.13 -27.15 7.77 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.903 2.927 . . . . 0.0 118.903 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 -51.52 66.74 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 121.461 3.875 . . . . 0.0 121.461 -168.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 118.345 2.72 . . . . 0.0 118.345 -171.309 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 . . . . . 0 N--CA 1.468 0.475 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -95.96 3.34 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -177.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.8 p -53.27 -40.2 64.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -40.01 95.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.0 -26.91 25.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.33 -51.97 66.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.5 ttp -60.21 -43.7 95.76 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.8 -50.82 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -68.18 -44.48 75.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.463 ' HG3' ' HE ' ' A' ' 76' ' ' ARG . 66.7 ttp -58.9 -43.05 90.96 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.153 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.36 -47.83 75.06 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -60.53 -46.55 89.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 111.755 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.79 -32.05 61.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.865 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.35 -30.26 57.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.116 -0.99 . . . . 0.0 110.711 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.13 -37.88 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.86 98.07 Favored Glycine 0 C--O 1.212 -1.258 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.35 -40.52 96.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.233 1.016 . . . . 0.0 110.118 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -64.47 -34.02 77.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -71.28 -21.22 62.12 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.842 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.55 -30.34 57.04 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -67.26 -44.78 78.53 Favored 'General case' 0 C--O 1.28 2.679 0 CA-C-O 124.422 2.058 . . . . 0.0 106.806 172.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.24 -30.11 70.25 Favored 'General case' 0 C--O 1.179 -2.621 0 CA-C-N 113.056 -1.884 . . . . 0.0 107.854 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.6 p -70.38 -30.96 68.0 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 119.909 1.231 . . . . 0.0 111.338 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD23 ' HB3' ' A' ' 65' ' ' ALA . 6.3 mt -56.99 -55.57 32.91 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 101.578 -3.49 . . . . 0.0 101.578 172.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.15 -33.6 73.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.64 -35.32 77.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.47 63.21 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.32 -34.62 78.4 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 116.85 -1.94 . . . . 0.0 112.615 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.18 -46.34 74.24 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.22 -0.925 . . . . 0.0 110.916 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -65.38 -35.18 80.18 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.8 -45.31 93.25 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.534 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 -57.75 -48.83 78.52 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.96 -38.22 90.27 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -69.47 -59.12 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.58 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -49.2 -41.71 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -95.63 -46.3 6.68 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -101.03 -37.98 8.38 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 116.609 2.078 . . . . 0.0 116.609 -168.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 45.89 55.62 6.8 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.1 p -62.59 165.61 6.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.48 -8.15 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.176 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.22 -2.68 22.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.104 -0.372 . . . . 0.0 111.395 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -45.28 -31.13 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -59.14 -25.07 63.55 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -137.27 6.05 2.78 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -13.62 17.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.04 -132.23 0.08 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt 63.07 170.43 0.15 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 110.872 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.13 -31.21 65.11 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.195 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.84 -59.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -26.05 39.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.808 -175.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.6 tp -58.89 -49.69 76.82 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -58.49 -45.57 88.47 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.514 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -66.19 -40.31 90.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.54 -45.37 68.94 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 118.945 0.793 . . . . 0.0 109.625 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.564 ' HB ' HD22 ' A' ' 30' ' ' LEU . 16.9 pt -69.74 -20.04 23.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.189 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -77.1 -32.33 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.45 -0.781 . . . . 0.0 108.979 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -44.64 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.603 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.98 -34.63 76.51 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.566 176.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.2 -29.18 67.97 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.983 -1.073 . . . . 0.0 110.844 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -66.47 -51.85 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.4 -46.37 56.19 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.875 0.369 . . . . 0.0 111.334 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.72 87.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -62.97 -40.49 97.87 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 121.499 -0.751 . . . . 0.0 109.354 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -62.03 -38.19 87.77 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.68 -25.8 59.41 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.825 -0.547 . . . . 0.0 110.457 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -66.98 -48.21 69.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.91 -43.23 91.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.422 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.25 -43.27 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HE ' ' HG3' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.36 -15.07 62.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.979 -0.45 . . . . 0.0 111.46 -178.447 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -82.15 -5.18 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.63 147.69 32.79 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.67 106.69 9.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.999 -0.707 . . . . 0.0 110.58 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.48 -56.02 0.66 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.785 1.634 . . . . 0.0 110.817 -176.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -162.83 158.78 23.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.183 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.209 -1.043 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.61 -43.27 12.79 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.31 -17.45 62.46 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.476 1.489 . . . . 0.0 108.817 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -64.58 -33.32 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.9 -28.54 69.6 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -69.33 -45.09 70.31 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -61.73 -34.5 75.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -80.74 -9.21 59.82 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.86 -27.87 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 167.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.71 -36.18 82.87 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.29 -45.76 79.32 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.534 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.69 59.3 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.73 -50.84 72.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -61.98 -35.44 78.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.086 -0.384 . . . . 0.0 111.65 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -62.65 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.22 94.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.52 -46.04 87.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.592 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.16 -38.55 88.36 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.08 -44.34 92.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.01 -23.14 62.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.192 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.59 -46.6 75.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -32.05 72.74 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.581 0.229 . . . . 0.0 110.77 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.16 -19.92 60.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.784 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -110.21 8.61 23.72 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.6 m -69.14 13.31 0.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 30.9 p90 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 178.829 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 . . . . . 0 C--O 1.228 -0.073 0 CA-C-O 120.749 0.309 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.53 -20.08 30.19 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.024 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -76.6 -35.63 58.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.63 1.104 . . . . 0.0 108.041 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -55.74 -54.74 40.64 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.65 -31.18 59.71 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.093 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -61.55 -46.34 90.31 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.9 ttp -62.38 -43.34 99.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.915 -0.491 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -62.47 -46.02 90.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.057 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -66.33 -45.52 79.96 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.6 ttp -57.94 -44.82 87.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.779 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.16 -35.62 78.34 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.205 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -73.47 -41.65 62.9 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.844 -0.535 . . . . 0.0 111.689 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -75.0 -15.06 60.67 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.533 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 20' ' ' LEU . 12.5 mt -81.96 -24.11 35.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.995 -1.065 . . . . 0.0 110.504 171.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 -40.51 91.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 172.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.21 -31.27 76.99 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.696 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.81 -32.96 70.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -72.41 -26.22 61.78 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -68.18 -34.7 76.79 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 119.1 -1.04 . . . . 0.0 108.639 170.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.0 77.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.231 0.923 . . . . 0.0 110.4 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HA ' HD23 ' A' ' 30' ' ' LEU . 27.6 tt0 -65.05 -47.96 75.5 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-O 123.121 1.439 . . . . 0.0 108.154 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.34 -33.27 73.35 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.249 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -69.21 -40.5 77.96 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 119.374 0.988 . . . . 0.0 110.45 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.77 -46.54 89.12 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.055 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -68.86 -36.66 78.38 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 118.918 -1.113 . . . . 0.0 113.424 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -38.09 87.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.7 -51.86 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -43.66 77.59 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 117.684 -1.606 . . . . 0.0 113.746 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.37 -39.21 81.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.244 -0.91 . . . . 0.0 112.327 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' HD13 ' A' ' 107' ' ' LEU . 63.5 mtt180 -75.4 -28.5 59.47 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.915 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.5 -45.43 87.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -57.05 -44.18 82.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.39 -40.35 89.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.589 0.233 . . . . 0.0 111.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.57 91.74 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.8 -59.05 5.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.426 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -48.49 -43.26 34.77 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -174.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -91.21 -46.45 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.95 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -100.99 -35.94 9.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 82.23 -6.14 1.39 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 126.232 1.813 . . . . 0.0 110.628 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 p 65.29 162.14 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.09 -23.02 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -90.17 38.01 0.91 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.682 176.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -51.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -107.97 5.37 26.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.477 0.656 . . . . 0.0 109.821 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -124.04 10.31 8.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.13 -38.58 75.04 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 119.539 -0.267 . . . . 0.0 111.137 -178.339 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.7 m80 45.88 55.13 7.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -31.71 -51.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.48 -45.23 95.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.456 0.571 . . . . 0.0 111.489 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.19 -42.69 83.77 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.12 96.11 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.51 -44.83 93.16 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.67 -41.97 87.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.503 -0.748 . . . . 0.0 110.799 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.96 -42.92 62.89 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.63 -43.28 73.0 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.275 1.036 . . . . 0.0 110.006 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.98 -28.5 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.7 -33.8 74.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.699 -1.251 . . . . 0.0 110.289 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.49 -41.71 88.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.33 78.39 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.065 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -66.41 -35.52 80.53 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.11 -53.73 51.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.3 -50.14 59.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.53 75.62 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -64.51 -40.33 95.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HE ' ' CD ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -64.5 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -36.54 81.08 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 76' ' ' ARG . 46.9 mtpt -59.22 -52.42 65.78 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.138 0.881 . . . . 0.0 109.303 174.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.05 -32.64 73.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.446 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.04 -42.95 72.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 51.9 mtp180 -61.13 -32.99 72.68 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 122.061 -0.399 . . . . 0.0 110.622 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.84 6.29 6.38 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.819 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.53 -179.56 43.62 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -162.75 -170.35 2.35 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.2 146.31 23.79 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.24 7.15 6.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.208 1.003 . . . . 0.0 112.555 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 125.494 1.518 . . . . 0.0 113.854 179.128 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 83.2 t80 . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -57.33 10.83 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.53 -0.731 . . . . 0.0 111.975 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -73.67 -16.83 61.2 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.87 -1.144 . . . . 0.0 109.841 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.93 -28.06 68.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.469 ' CD ' ' HE ' ' A' ' 71' ' ' ARG . 17.7 mm-40 -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.71 -36.67 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.03 -36.09 83.27 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.968 0.889 . . . . 0.0 109.047 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -77.12 -23.65 51.76 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.416 -0.803 . . . . 0.0 111.549 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -67.83 -44.2 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.88 -41.3 82.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.217 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -75.09 -31.45 61.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.587 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.29 82.33 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.82 -43.22 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.662 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.4 ttt85 -61.88 -37.12 83.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.151 -0.343 . . . . 0.0 111.375 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -66.67 -38.02 85.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.09 84.35 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 109.815 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -57.84 -42.82 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.675 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -73.64 -29.34 62.29 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -66.43 -45.02 81.25 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 36' ' ' ARG . 77.4 mt -64.77 -37.18 86.72 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.966 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.83 -48.0 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.8 p -64.43 -29.15 70.21 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -77.31 -20.76 54.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.888 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -98.94 -12.16 20.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.8 m -73.55 -3.88 30.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 56.5 t90 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.878 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.224 0.535 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -104.53 9.41 35.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 p -56.3 -41.74 76.46 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -43.76 97.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -176.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.97 -33.55 21.09 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -61.43 -44.17 97.59 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.55 -44.2 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.98 -47.31 85.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.606 0.241 . . . . 0.0 110.684 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -68.2 -44.27 76.19 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 ttp -54.96 -45.31 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.165 0.439 . . . . 0.0 110.274 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.73 -52.23 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.604 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.39 -36.7 79.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.64 -31.78 67.22 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.02 -24.16 43.86 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.132 -0.98 . . . . 0.0 111.225 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.23 -39.05 96.72 Favored Glycine 0 C--O 1.224 -0.515 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.48 -40.2 95.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -70.83 -25.15 62.72 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.414 -0.804 . . . . 0.0 110.754 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -73.99 -23.43 59.45 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.385 -0.822 . . . . 0.0 110.009 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.99 64.01 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.77 -42.75 97.72 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-O 122.828 1.299 . . . . 0.0 108.518 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.98 -43.4 98.91 Favored 'General case' 0 C--O 1.179 -2.656 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.388 173.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -58.85 -41.41 86.89 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 120.122 1.328 . . . . 0.0 112.158 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -48.5 65.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.151 0.887 . . . . 0.0 108.774 176.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -72.55 -26.31 61.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 117.418 -1.713 . . . . 0.0 114.801 -177.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.14 -35.58 71.76 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 61' ' ' GLU . 5.0 mt -61.95 -42.8 99.53 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -62.08 -47.52 84.31 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.77 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -44.38 96.85 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.453 0.644 . . . . 0.0 111.208 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.06 -35.72 80.47 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.384 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.16 -46.79 79.44 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -56.43 -47.41 79.13 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.841 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -66.43 -42.81 87.14 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 -34.98 69.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.37 -62.8 1.57 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.772 168.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -51.1 -52.05 47.44 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -167.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -96.03 -34.37 11.78 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.175 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -16.74 20.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 118.105 2.631 . . . . 0.0 118.105 -169.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.21 44.05 2.12 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.867 1.267 . . . . 0.0 114.045 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -102.01 -134.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 173.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 110' ' ' HIS . 10.2 m 42.1 44.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.248 1.019 . . . . 0.0 111.838 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 51.17 61.75 3.08 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.654 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.39 140.82 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 71.05 -41.03 0.49 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.567 1.947 . . . . 0.0 112.446 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -100.73 26.63 6.63 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -55.06 -40.29 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.864 0.866 . . . . 0.0 111.812 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.4 m80 47.72 51.65 13.76 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -29.91 30.6 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.13 -44.07 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.93 0.786 . . . . 0.0 111.114 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.79 -45.34 71.55 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -60.43 -46.79 88.76 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.231 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.92 -46.72 87.26 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -53.99 -49.24 69.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.19 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -76.76 -41.08 46.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -175.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 33' ' ' LEU . 16.9 pt-20 -70.73 -44.86 65.96 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 110.274 -178.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.19 -35.14 67.37 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.97 -48.01 82.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.309 0.959 . . . . 0.0 110.293 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.31 -45.34 93.75 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-O 121.239 0.542 . . . . 0.0 110.274 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.37 73.82 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -73.72 -29.82 62.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.495 -0.753 . . . . 0.0 110.699 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.9 -46.62 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -58.85 -42.82 90.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.163 -1.415 . . . . 0.0 113.904 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -40.74 71.64 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.953 -1.092 . . . . 0.0 112.254 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.9 -41.77 97.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.137 -0.352 . . . . 0.0 110.658 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -60.94 -43.97 97.93 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.55 -35.84 82.02 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.803 -0.561 . . . . 0.0 110.183 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.5 -50.58 69.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.268 -0.27 . . . . 0.0 111.113 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.63 -30.83 66.2 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.41 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.09 -44.61 91.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -33.63 73.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.228 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.16 3.42 17.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.018 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.24 177.51 53.43 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 122.849 1.249 . . . . 0.0 115.5 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 p -113.74 170.68 8.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.562 -0.819 . . . . 0.0 110.932 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.15 77.04 0.96 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -165.06 167.63 18.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 122.042 0.925 . . . . 0.0 109.992 179.79 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER . . . . . 0 C--O 1.201 -1.486 0 N-CA-C 119.463 3.134 . . . . 0.0 119.463 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.47 -61.44 2.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -80.36 -16.98 53.26 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.763 -1.836 . . . . 0.0 108.758 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.34 -28.42 69.28 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 170.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.52 -32.41 73.75 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.26 -32.74 70.71 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.86 -33.46 75.65 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.36 -27.79 63.6 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.493 -0.754 . . . . 0.0 110.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.16 -42.0 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 -61.83 -36.92 82.58 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.83 -40.78 83.73 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.343 0.52 . . . . 0.0 111.787 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.44 -47.26 79.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.72 -45.32 87.06 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.814 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -61.17 -39.8 91.49 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -62.17 -49.01 77.53 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.18 71.44 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -67.19 -36.44 81.76 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.824 -176.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -74.5 -31.91 62.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 118.107 0.412 . . . . 0.0 110.266 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.01 -51.01 63.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -38.61 87.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.958 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.15 -47.47 83.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' HB3' HG12 ' A' ' 47' ' ' VAL . 91.7 m-70 -78.29 -20.6 51.22 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.986 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -96.11 -3.89 43.78 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 122.045 -0.409 . . . . 0.0 110.519 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m -71.97 10.1 0.79 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.463 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -97.37 3.93 50.89 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.4 p -55.83 -33.79 64.8 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 6.2 pttp -53.02 -59.26 4.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.36 0.6 . . . . 0.0 112.355 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -76.38 -33.98 58.89 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 -176.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.64 -50.61 72.58 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -63.65 -50.25 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -58.74 -46.01 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.375 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.38 -45.64 68.82 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.402 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.9 mmt -64.5 -37.56 87.97 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttm -58.48 -53.57 56.87 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -64.65 -43.0 95.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.701 -0.625 . . . . 0.0 111.21 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -19.34 33.16 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.586 -0.696 . . . . 0.0 110.571 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.38 -38.94 91.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 169.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.0 84.44 Favored Glycine 0 C--O 1.22 -0.769 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.123 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.89 -44.38 85.47 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.919 0.866 . . . . 0.0 108.965 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.86 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.53 -20.61 65.77 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.027 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.2 -44.87 35.85 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.26 0.936 . . . . 0.0 110.745 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.96 -41.98 85.98 Favored 'General case' 0 C--O 1.295 3.464 0 CA-C-O 123.991 1.853 . . . . 0.0 108.759 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -58.93 -39.07 80.5 Favored 'General case' 0 C--O 1.18 -2.594 0 CA-C-N 112.968 -1.924 . . . . 0.0 107.184 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -65.28 -30.29 71.15 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 120.234 1.379 . . . . 0.0 112.087 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.83 -58.21 9.42 Favored 'General case' 0 C--O 1.26 1.658 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -71.87 -33.46 68.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 117.184 -1.806 . . . . 0.0 115.51 -172.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -65.63 -37.03 85.41 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.73 -52.9 54.6 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.716 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.87 89.74 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 116.689 -2.004 . . . . 0.0 110.753 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -50.72 72.55 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.136 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.61 -35.06 79.79 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 118.186 0.448 . . . . 0.0 111.376 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.36 -45.4 93.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -65.69 -32.62 74.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.335 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.22 -43.15 78.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.058 0.844 . . . . 0.0 109.247 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.85 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.35 -63.7 1.01 Allowed 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.621 -1.232 . . . . 0.0 108.822 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -52.21 -37.52 55.26 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -172.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.97 -46.39 6.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -97.13 -35.58 10.74 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 -169.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 39.55 51.3 2.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.9 m -51.44 150.39 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.56 -25.19 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.76 23.83 0.64 Allowed 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 112.236 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.08 -28.78 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.319 0.647 . . . . 0.0 112.662 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.86 -21.15 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.424 0.63 . . . . 0.0 111.256 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -116.45 -11.2 11.17 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.761 0.824 . . . . 0.0 111.843 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.0 t -56.93 -39.66 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.105 0.253 . . . . 0.0 111.623 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -143.8 -119.06 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.662 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.609 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 52.4 mt 65.48 169.58 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.936 1.294 . . . . 0.0 109.455 -176.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -52.5 -37.37 57.22 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.841 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -62.0 -56.15 22.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -76.25 -32.18 58.73 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.342 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.01 -45.96 91.29 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.368 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -65.05 -40.5 94.85 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.738 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.77 -48.7 80.61 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.436 0.562 . . . . 0.0 112.403 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.49 -48.33 72.96 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.406 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.0 pt -66.59 -28.21 42.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 118.607 -1.237 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 88.6 m-20 -69.01 -40.54 78.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.142 0.883 . . . . 0.0 110.243 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.69 -47.4 72.52 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.605 0.717 . . . . 0.0 109.642 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.67 91.77 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.118 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 46.9 mtmt -66.1 -28.81 69.1 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.834 -0.541 . . . . 0.0 111.349 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.65 -48.49 66.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 99' ' ' ALA . 32.8 mm-40 -72.76 -20.16 61.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 116.894 -1.922 . . . . 0.0 111.811 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.622 -1.298 . . . . 0.0 109.267 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.76 -35.53 80.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -67.11 -35.55 80.0 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.229 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -38.23 89.75 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.143 -0.973 . . . . 0.0 109.635 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.18 -40.07 90.2 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.648 -0.657 . . . . 0.0 110.17 176.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.65 -33.62 76.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.498 -0.751 . . . . 0.0 110.045 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -58.8 -38.61 78.98 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.117 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -97.79 15.38 23.88 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.238 0.542 . . . . 0.0 110.324 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.73 -88.43 1.36 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 121.305 3.282 . . . . 0.0 121.305 -172.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 t -160.95 164.95 30.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.015 -0.697 . . . . 0.0 112.35 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.45 -37.0 81.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.199 0.6 . . . . 0.0 110.224 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -170.25 167.57 8.49 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.33 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -57.97 6.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.85 -1.156 . . . . 0.0 108.646 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -42.6 95.81 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 95' ' ' GLN . 14.1 pt-20 -75.92 -22.3 56.18 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.586 -1.246 . . . . 0.0 110.274 -175.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.75 -41.15 96.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.53 -27.92 66.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -71.74 -32.2 67.48 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.867 -0.521 . . . . 0.0 110.338 174.824 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.1 -35.45 58.86 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 CA-C-O 122.422 1.106 . . . . 0.0 108.699 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.73 -31.88 72.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -74.94 -33.85 62.02 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.998 -0.438 . . . . 0.0 110.159 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . . . -55.71 -50.39 70.45 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.1 -45.91 89.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -59.02 -40.04 83.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -64.43 -46.11 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -47.98 83.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.8 -37.98 89.4 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.951 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.31 -34.59 72.9 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.398 -0.814 . . . . 0.0 111.948 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.52 -39.8 89.14 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.819 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -54.93 -52.51 62.74 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -35.63 76.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.07 -20.53 52.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.021 -0.424 . . . . 0.0 111.106 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -103.22 -1.4 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.34 0.656 . . . . 0.0 112.722 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.0 m -58.37 -18.39 27.47 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.6 t90 . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 174.198 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -105.81 -20.13 13.54 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.828 0.823 . . . . 0.0 113.1 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -71.24 -37.39 71.98 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -171.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -59.04 5.02 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -85.33 -25.13 27.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.037 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.23 -48.1 81.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 118.26 -1.376 . . . . 0.0 108.613 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.9 mmt -71.58 -34.82 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.679 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -62.04 -45.18 94.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.356 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.95 -45.1 87.17 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -54.62 -47.15 73.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.24 -41.87 93.92 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.85 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -63.41 -40.57 97.55 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.939 0.399 . . . . 0.0 110.116 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.52 -38.28 84.04 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.343 -0.223 . . . . 0.0 110.539 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD23 ' HG3' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -78.61 -27.28 45.47 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.792 -0.763 . . . . 0.0 112.399 179.287 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.12 -41.37 97.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.16 -37.1 92.7 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.21 -44.65 94.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.598 0.699 . . . . 0.0 109.441 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.95 -33.06 71.62 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.565 -0.709 . . . . 0.0 109.984 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -62.56 -34.6 77.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.514 -0.741 . . . . 0.0 109.215 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.73 72.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.898 -0.501 . . . . 0.0 109.733 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.07 -43.11 93.27 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 123.523 1.63 . . . . 0.0 109.032 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -63.29 -30.63 71.74 Favored 'General case' 0 C--O 1.194 -1.857 0 CA-C-N 114.045 -1.434 . . . . 0.0 108.744 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.7 p -69.04 -33.52 73.74 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 119.78 1.173 . . . . 0.0 110.638 175.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.691 HD22 ' HB ' ' A' ' 62' ' ' ILE . 11.2 mt -59.69 -51.99 67.42 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 173.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -73.36 -26.74 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.27 -40.8 90.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HA ' HD11 ' A' ' 107' ' ' LEU . 4.8 mt -61.86 -48.92 78.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.23 -59.38 4.74 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.593 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.88 -46.33 88.34 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -72.53 -22.16 61.07 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 121.49 -0.756 . . . . 0.0 112.08 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.62 -44.32 28.67 Favored 'General case' 0 C--O 1.27 2.178 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -56.65 -43.92 80.81 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 114.639 -1.164 . . . . 0.0 107.9 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.41 -31.81 65.83 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.06 85.17 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.02 -63.92 1.31 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 114.762 -2.775 . . . . 0.0 111.416 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.48 -39.78 80.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -167.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -95.64 -43.08 8.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -96.75 -12.66 23.43 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -166.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 44.88 32.89 0.89 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 170.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -66.56 170.16 6.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 m -62.74 -8.0 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -20.8 62.14 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.538 0.335 . . . . 0.0 111.451 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.3 130.47 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.693 0.282 . . . . 0.0 111.333 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 68.8 -46.4 0.55 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.955 1.702 . . . . 0.0 112.964 -174.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -64.26 -15.39 60.02 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.751 0.82 . . . . 0.0 112.082 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -27.16 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.921 174.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.7 t60 54.56 52.15 12.79 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -175.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.7 tp -32.11 -51.88 0.25 Allowed 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -170.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.98 -47.66 83.82 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.352 0.978 . . . . 0.0 111.113 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -66.76 -39.36 87.85 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.5 -47.32 84.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.89 -48.53 81.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -53.23 -46.22 69.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.07 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -74.94 -44.43 48.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -63.24 -47.9 80.52 Favored 'General case' 0 C--O 1.274 2.383 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.691 ' HB ' HD22 ' A' ' 30' ' ' LEU . 3.9 pt -70.92 -22.01 22.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.466 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.486 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.34 -37.46 80.52 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.869 1.213 . . . . 0.0 109.609 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.42 -45.8 58.0 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 121.458 0.646 . . . . 0.0 109.75 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.55 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.54 -36.62 81.1 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 117.863 -1.535 . . . . 0.0 109.832 177.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -64.66 -31.73 73.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.145 0.578 . . . . 0.0 109.83 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.69 -53.58 49.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' HG2' ' HB2' ' A' ' 99' ' ' ALA . 4.1 mp0 -67.96 -27.41 66.57 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 116.796 -1.962 . . . . 0.0 113.176 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.07 76.49 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.761 -1.212 . . . . 0.0 111.154 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.43 -37.3 86.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.87 -36.35 84.06 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.45 -36.98 84.11 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.764 -0.585 . . . . 0.0 109.836 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.63 -47.31 84.31 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.492 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.96 -39.27 88.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.906 0.384 . . . . 0.0 111.274 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.99 -44.09 90.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HG3' HD23 ' A' ' 20' ' ' LEU . 2.0 tmt_? -62.21 -37.97 87.37 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.056 0.455 . . . . 0.0 110.209 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.25 13.76 4.02 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.436 0.636 . . . . 0.0 110.414 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.48 -128.4 2.02 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.396 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -139.72 167.78 21.32 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.1 -0.647 . . . . 0.0 112.059 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.78 130.52 44.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 p30 57.17 175.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.971 -178.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.5 p90 . . . . . 0 C--O 1.204 -1.295 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.56 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -78.37 -20.12 51.93 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 121.109 -0.995 . . . . 0.0 108.571 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.6 -36.0 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 169.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.2 -25.71 63.55 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.626 -0.671 . . . . 0.0 109.991 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.72 -37.74 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.54 -36.04 81.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -30.86 71.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.676 -0.64 . . . . 0.0 111.533 175.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.32 -35.13 45.62 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -38.06 77.73 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 173.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.75 -25.09 53.08 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 68' ' ' GLU . . . -58.99 -48.93 79.79 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 170.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.34 -41.92 88.86 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.872 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.66 75.33 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.715 -0.616 . . . . 0.0 110.714 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -46.42 89.67 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.97 -51.68 68.24 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.952 0.882 . . . . 0.0 110.229 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.77 -39.55 81.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.325 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.95 -40.02 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.98 -38.16 79.18 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 33' ' ' LEU . 64.4 mt -63.71 -35.46 80.64 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 112.114 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.36 -48.45 81.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.7 p -62.95 -32.91 74.33 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.006 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -78.05 -19.63 53.93 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.787 -0.571 . . . . 0.0 109.997 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p -97.05 -18.61 19.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.255 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.9 m -90.51 -17.49 26.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 8.8 m95 . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.681 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.75 10.63 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.017 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -45.77 -38.98 7.64 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -172.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 5.8 pttp -47.27 -78.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.272 1.034 . . . . 0.0 113.559 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 28.7 tp10 -77.53 -26.4 51.03 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.366 -174.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -66.66 -47.15 73.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.975 -0.453 . . . . 0.0 111.141 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -70.62 -38.28 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -44.64 80.31 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -56.7 16.67 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.712 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -58.53 -35.03 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.72 -50.92 65.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.5 -41.17 84.76 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -64.82 -48.74 73.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.372 0.606 . . . . 0.0 112.169 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.33 -26.03 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -72.8 -25.75 61.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.7 -40.72 85.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 172.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.1 -38.96 88.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -64.2 -37.43 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.645 -0.659 . . . . 0.0 110.051 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.19 -37.13 84.12 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.44 94.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.561 1.073 . . . . 0.0 111.911 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.62 -44.68 81.39 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 123.966 1.841 . . . . 0.0 109.298 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -61.36 -33.08 73.05 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.116 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -68.63 -42.45 78.03 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.581 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -48.43 76.0 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.31 -39.68 89.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.223 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -68.45 -27.53 66.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.6 -51.47 59.41 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -41.41 92.5 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 117.0 -1.88 . . . . 0.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.66 -50.97 70.5 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.658 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.2 -22.13 60.52 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.6 -43.22 56.59 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -59.87 -43.45 94.71 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -59.58 -48.86 79.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.867 0.303 . . . . 0.0 110.56 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.25 83.49 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.34 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 115.227 -2.589 . . . . 0.0 110.219 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -58.69 -39.39 80.6 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -167.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -96.04 -40.81 9.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.092 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -96.84 -9.82 27.87 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 39.55 48.75 1.87 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.5 t -50.74 155.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.719 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.57 -21.26 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.61 0.764 . . . . 0.0 113.015 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -93.15 25.12 3.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.1 137.16 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 69.6 -43.31 0.52 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.215 1.406 . . . . 0.0 112.701 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.94 -32.81 71.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.091 0.556 . . . . 0.0 110.062 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.45 -13.62 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 p80 27.84 87.71 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -39.07 -41.77 0.84 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -175.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.7 -52.43 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.126 0.875 . . . . 0.0 111.765 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.21 -39.62 78.49 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -50.26 74.73 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.855 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.6 -44.91 95.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -56.71 -46.19 81.4 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.268 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -78.56 -33.17 47.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.97 -42.54 60.33 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.537 -0.727 . . . . 0.0 109.867 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.45 -35.92 74.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -63.88 -40.43 96.52 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.909 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.51 -46.76 86.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.58 -31.51 72.59 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.24 0.543 . . . . 0.0 110.96 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -64.52 -35.36 80.72 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.511 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -69.32 -45.63 69.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.71 -49.89 67.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 120.912 0.387 . . . . 0.0 111.431 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.79 86.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -62.92 -42.46 99.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -62.24 -32.37 73.04 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.175 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.57 -23.18 56.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -72.78 -46.73 51.74 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.128 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.71 -43.37 76.46 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.643 1.211 . . . . 0.0 108.209 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.1 tp -64.43 -46.7 82.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.306 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -22.04 65.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.0 9.76 29.37 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.811 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.05 -172.69 40.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 106.691 -2.563 . . . . 0.0 106.691 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -129.1 -166.9 1.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.43 2.28 0.64 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -155.63 165.86 35.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 122.514 1.15 . . . . 0.0 110.661 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 C--O 1.208 -1.085 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.04 -56.75 8.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.73 -18.64 60.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.073 -1.017 . . . . 0.0 109.067 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.7 -40.67 88.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.66 -21.35 62.61 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.78 -35.73 70.11 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.81 -36.84 75.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 120.978 -1.076 . . . . 0.0 108.23 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.58 -24.34 62.75 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.893 -0.504 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.07 -40.86 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 172.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 tpt85 -62.51 -33.14 74.29 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.984 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -71.6 -39.02 70.78 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 119.152 0.887 . . . . 0.0 111.161 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.25 72.93 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -42.2 99.7 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.735 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -64.53 -35.32 80.59 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 7.3 tmtt? -64.54 -48.88 73.43 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.36 95.45 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.282 0.563 . . . . 0.0 110.998 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.38 -53.84 53.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.529 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 102' ' ' LYS . 16.3 pttt -71.19 -23.06 61.96 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.246 0.546 . . . . 0.0 112.245 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -70.67 -44.94 66.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.38 -32.86 74.51 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.364 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.27 -47.21 86.96 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -62.85 -30.71 71.71 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -78.2 -20.8 51.16 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.98 -0.45 . . . . 0.0 110.328 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -105.4 4.39 30.71 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.734 0.302 . . . . 0.0 111.274 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.7 m -66.58 -4.06 7.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 124.191 0.996 . . . . 0.0 113.301 174.551 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.726 0.298 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -103.93 17.75 23.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.109 -177.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -54.36 -34.08 60.4 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -59.21 -55.56 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.63 -34.88 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.846 -0.534 . . . . 0.0 110.996 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.06 -42.03 90.02 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.171 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 ttm -67.88 -39.3 83.69 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.53 -0.731 . . . . 0.0 109.849 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -55.5 -48.95 73.8 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -61.45 -54.2 46.56 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.536 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 74.4 mtm -53.42 -55.28 26.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.033 -0.417 . . . . 0.0 111.813 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mmt -61.16 -48.21 82.62 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -81.79 -34.4 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -88.25 -19.26 27.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.518 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 20' ' ' LEU . 86.7 mt -81.78 -23.78 36.38 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 118.907 -1.117 . . . . 0.0 108.337 171.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.19 -42.22 93.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.229 -2.137 . . . . 0.0 105.229 170.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.08 -37.75 95.45 Favored Glycine 0 C--O 1.215 -1.079 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.515 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.54 -39.68 94.22 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.188 0.994 . . . . 0.0 109.576 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.78 -29.98 70.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -22.88 60.83 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.811 -0.556 . . . . 0.0 110.822 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.33 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.485 1.039 . . . . 0.0 108.482 173.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.25 -43.71 98.22 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -59.42 -35.52 74.15 Favored 'General case' 0 C--O 1.176 -2.791 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.486 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -63.65 -41.54 98.21 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.668 1.576 . . . . 0.0 111.818 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -44.92 95.55 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.11 -35.18 76.17 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.865 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -66.36 -39.42 89.15 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 61' ' ' GLU . 3.7 mt -60.4 -57.86 10.98 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.09 90.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 117.206 -1.798 . . . . 0.0 114.018 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -67.06 -43.91 81.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.365 -0.835 . . . . 0.0 111.715 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -70.89 -26.89 63.43 Favored 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.328 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -70.26 -46.02 65.22 Favored 'General case' 0 C--O 1.256 1.401 0 CA-C-O 122.303 1.049 . . . . 0.0 110.03 173.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.77 -36.56 81.4 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.872 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -76.2 -25.57 55.29 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.842 0.353 . . . . 0.0 110.672 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.89 66.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -78.28 -63.64 1.35 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 116.239 -2.184 . . . . 0.0 108.636 168.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.32 -51.24 19.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -170.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.02 -40.73 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.15 0.5 . . . . 0.0 111.133 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -96.96 -12.02 23.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -166.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.6 48.73 3.59 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 m -45.72 137.25 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.263 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 p -55.19 -25.91 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.49 32.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.385 -0.822 . . . . 0.0 111.654 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -53.77 -33.98 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -76.68 -11.24 59.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.342 0.591 . . . . 0.0 112.318 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -144.61 35.83 1.17 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.139 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -60.95 -33.11 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.432 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -153.45 -55.29 0.11 Allowed 'General case' 0 C--O 1.237 0.407 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.7 mt 60.31 -178.36 0.1 Allowed 'General case' 0 C--O 1.25 1.079 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -170.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 28.3 mp0 -62.33 -36.52 82.46 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.715 -0.616 . . . . 0.0 109.508 -176.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.24 -56.28 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.072 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -79.19 -23.71 43.67 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.029 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.69 -46.87 87.84 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -63.41 -35.56 80.83 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.659 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.29 -46.91 75.33 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 33' ' ' LEU . 16.4 pt-20 -63.65 -48.79 75.8 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.8 mt -63.86 -31.69 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.759 -0.588 . . . . 0.0 110.898 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -68.74 -32.39 72.12 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.712 -1.242 . . . . 0.0 110.25 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.26 -40.27 67.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.01 80.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.966 0.889 . . . . 0.0 109.603 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -65.58 -34.95 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.287 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.4 -51.14 55.49 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -49.12 -47.86 45.06 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.92 99.62 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.34 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -65.81 -33.19 75.28 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.162 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 96' ' ' VAL . 5.0 mt -70.99 -28.78 64.69 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -72.2 -43.31 64.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.93 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.64 -36.81 84.76 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.33 -49.28 72.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -16.61 64.08 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -41.14 96.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.44 179.5 27.27 Favored Glycine 0 C--O 1.228 -0.258 0 N-CA-C 119.504 2.561 . . . . 0.0 119.504 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -161.31 165.07 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.25 -0.83 20.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -154.24 131.63 11.24 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.162 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.512 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.213 -0.828 0 CA-C-O 119.643 -0.218 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.26 -56.68 11.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 118.351 -1.34 . . . . 0.0 110.486 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.56 -17.49 61.71 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.184 -0.947 . . . . 0.0 110.772 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -61.78 -36.51 81.27 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.28 -29.31 70.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.415 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.04 -39.19 83.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.49 -39.63 88.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.661 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -72.38 -24.81 61.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.787 -0.571 . . . . 0.0 111.334 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' HG ' ' A' ' 72' ' ' LEU . 3.3 t -68.2 -42.08 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.51 -41.67 85.96 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.53 -33.32 71.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.36 75.7 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.96 -37.32 86.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.39 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.28 -38.34 88.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.38 -46.56 82.83 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.75 87.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.056 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.36 -45.38 94.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 0.0 111.272 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.33 -31.88 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.351 0.596 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.28 -41.68 80.68 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.7 -34.58 78.54 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 121.715 -0.615 . . . . 0.0 110.887 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.04 -47.28 83.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -62.9 -32.3 73.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.998 -0.439 . . . . 0.0 110.939 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -78.13 1.79 20.09 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -130.83 2.67 4.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -68.18 -25.45 65.25 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 118.464 0.575 . . . . 0.0 110.415 179.44 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.333 0.111 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 2.45 36.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -55.91 -33.37 64.59 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 9.7 pttp -54.16 -72.25 0.06 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 31.6 mm-40 -77.19 -25.55 51.9 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.672 -0.643 . . . . 0.0 109.804 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -64.98 -42.92 94.14 Favored 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.408 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 tpt -67.66 -42.64 81.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.652 0.66 . . . . 0.0 109.745 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -55.71 -52.87 62.4 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.562 0.696 . . . . 0.0 110.258 178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -66.15 -47.89 72.56 Favored 'General case' 0 C--O 1.182 -2.497 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.4 ttp -53.5 -42.26 67.13 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.2 1.364 . . . . 0.0 111.953 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.8 ttm -60.09 -54.42 46.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -70.07 -32.39 70.45 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -73.4 -34.25 65.4 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 20' ' ' LEU . 61.2 mt -84.05 -22.81 31.13 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 119.171 -1.012 . . . . 0.0 110.378 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.4 -48.2 82.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 167.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.29 98.15 Favored Glycine 0 C--O 1.213 -1.196 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.102 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.0 -39.49 89.93 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.325 1.062 . . . . 0.0 108.489 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -76.29 -20.82 56.95 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.297 -0.877 . . . . 0.0 112.198 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -75.35 -26.19 58.37 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.29 62.15 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HA ' HD13 ' A' ' 30' ' ' LEU . 20.7 tt0 -63.54 -43.3 97.5 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 123.488 1.613 . . . . 0.0 107.008 173.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.68 -23.63 65.33 Favored 'General case' 0 C--O 1.188 -2.183 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.239 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.8 p -73.31 -33.96 65.46 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 120.912 1.687 . . . . 0.0 108.572 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.2 mp -59.94 -57.41 12.97 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 172.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -67.44 -35.23 78.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.91 -35.81 77.28 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -60.49 -52.36 65.53 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.151 0.887 . . . . 0.0 109.128 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -44.24 79.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 118.011 -1.476 . . . . 0.0 113.357 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -65.34 -43.48 90.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.712 -0.617 . . . . 0.0 111.214 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -70.21 -30.91 68.12 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.603 -0.686 . . . . 0.0 109.899 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.9 -48.5 68.53 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -61.2 -41.0 96.04 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.53 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.7 -38.24 86.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.054 -0.404 . . . . 0.0 110.401 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.71 86.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.62 -60.33 3.47 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 117.56 -1.656 . . . . 0.0 108.786 171.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.96 -50.86 18.28 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.09 -36.42 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -96.9 -36.29 10.62 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 38.48 51.94 1.7 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 p -62.0 170.84 1.96 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.01 -30.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.86 -15.28 54.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.43 -27.24 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.746 0.703 . . . . 0.0 111.227 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -77.06 -26.48 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.881 0.848 . . . . 0.0 109.501 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -122.46 24.53 9.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -35.06 61.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.836 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.8 m80 48.5 54.75 9.99 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -40.42 -41.93 1.5 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.16 -53.2 61.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.912 1.233 . . . . 0.0 110.209 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.13 -37.27 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.934 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.83 -47.98 64.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.256 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.63 -45.71 88.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -56.4 -45.26 80.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.46 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.51 -38.07 30.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.38 -43.51 77.17 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.075 0.94 . . . . 0.0 108.646 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.76 -34.75 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -65.29 -34.95 79.54 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.845 -1.16 . . . . 0.0 110.979 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.7 -48.44 66.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.54 -33.15 74.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.124 0.964 . . . . 0.0 110.343 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -32.02 73.42 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 121.625 -0.672 . . . . 0.0 110.875 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.89 -42.96 66.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -55.05 -53.69 52.64 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.576 0.703 . . . . 0.0 110.184 172.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.08 87.31 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.243 0.544 . . . . 0.0 112.181 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 26.9 tpt180 -65.68 -38.17 88.52 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.56 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.81 -40.19 91.61 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.22 -40.47 96.11 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.938 -0.476 . . . . 0.0 112.07 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -60.33 -43.29 96.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 110.211 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.75 -33.69 66.51 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.459 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -63.58 -26.2 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -98.01 12.82 33.01 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.472 0.654 . . . . 0.0 110.14 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.17 -128.96 2.68 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 116.255 1.262 . . . . 0.0 116.255 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 163.7 32.01 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.705 -0.88 . . . . 0.0 112.587 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.31 -13.02 57.61 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.44 0.638 . . . . 0.0 111.092 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -75.82 105.45 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 168.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.19 -60.85 2.03 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.52 -14.19 60.78 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.723 1.147 . . . . 0.0 110.214 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.21 -19.14 42.9 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 169.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.577 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -56.86 -51.87 67.34 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.014 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.52 -35.19 79.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.61 -46.33 86.26 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.717 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.13 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.882 -0.511 . . . . 0.0 110.787 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.8 t -60.92 -45.11 98.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -57.95 -45.59 86.42 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.229 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.24 -31.12 68.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.898 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.55 71.59 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.41 -32.49 73.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.092 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.029 -0.42 . . . . 0.0 110.58 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -42.34 93.41 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.66 95.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.38 0.61 . . . . 0.0 111.465 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -59.15 -44.78 92.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -39.96 95.53 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.747 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.86 -46.25 90.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.18 -41.81 84.69 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 120.557 0.218 . . . . 0.0 111.083 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.36 -50.71 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -34.15 73.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -74.64 -17.38 60.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.5 p -112.53 0.47 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.2 m -68.33 -1.72 6.91 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 175.808 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 CA-C-O 118.671 -1.071 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -62.73 143.79 96.63 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 118.308 1.054 . . . . 0.0 109.844 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.62 -15.96 37.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 117.968 -0.888 . . . . 0.0 113.022 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.442 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -62.05 -31.99 72.45 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -80.49 -39.31 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -63.41 -37.5 87.52 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 122.054 -0.404 . . . . 0.0 111.531 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.1 2.87 53.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 -37.27 64.51 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -44.51 93.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -74.79 -40.11 61.33 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -57.85 -50.13 74.36 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.379 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.1 ptp -67.44 -36.69 81.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.865 0.757 . . . . 0.0 111.961 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -64.5 -45.51 86.98 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.784 -0.767 . . . . 0.0 110.109 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HZ1' HD22 ' A' ' 75' ' ' LEU . 22.1 mmmt -65.13 -49.8 68.49 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.422 ' HA ' ' HB2' ' A' ' 76' ' ' ARG . 28.0 ttt -55.07 -49.89 70.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 tpt -64.88 -49.22 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.492 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -63.67 -50.72 68.13 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.325 0.583 . . . . 0.0 111.79 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.09 -26.97 59.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.12 -30.73 55.35 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.239 1.381 . . . . 0.0 111.754 175.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.96 -40.46 96.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.31 97.2 Favored Glycine 0 C--O 1.212 -1.248 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.964 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.8 -42.56 97.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.367 1.083 . . . . 0.0 109.784 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -64.28 -38.33 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -68.15 -20.68 64.91 Favored 'General case' 0 C--O 1.209 -1.038 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.724 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.44 -33.66 60.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.973 0.806 . . . . 0.0 109.055 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.65 -44.15 82.66 Favored 'General case' 0 C--O 1.286 2.991 0 CA-C-O 124.089 1.9 . . . . 0.0 107.764 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -57.75 -39.98 78.63 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 112.37 -2.195 . . . . 0.0 107.089 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -65.04 -36.18 83.52 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.168 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.606 HD22 ' HB ' ' A' ' 62' ' ' ILE . 11.5 mt -54.32 -56.12 21.67 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -70.27 -34.39 72.74 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -69.34 -37.4 77.67 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -51.65 67.59 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.07 80.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 116.62 -2.032 . . . . 0.0 112.223 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.83 -39.05 90.46 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.49 -38.43 87.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.037 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.35 -41.64 96.65 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.96 -40.82 81.52 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.299 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.067 0.848 . . . . 0.0 112.755 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.45 71.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -79.53 -62.77 1.59 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.889 170.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -47.64 -44.6 27.05 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.0 -46.47 6.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.39 -30.55 12.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -167.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.3 mmt-85 62.92 61.89 1.09 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.35 0.66 . . . . 0.0 111.034 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.38 140.47 3.07 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.998 0.428 . . . . 0.0 111.477 172.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.94 -13.96 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 19.7 pt-20 -113.45 22.77 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -43.8 -39.37 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.79 -21.91 66.03 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 48' ' ' GLU . 41.8 mtmt -114.54 -22.18 9.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.66 -15.24 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -109.16 -124.38 0.26 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 mt 61.72 168.43 0.11 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.547 1.165 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -55.41 -36.22 66.21 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.151 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.96 -59.08 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -35.56 51.55 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 118.844 -1.142 . . . . 0.0 110.898 -175.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.35 -45.8 89.53 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.541 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.64 -37.97 88.05 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.708 -0.62 . . . . 0.0 110.312 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.05 -46.71 80.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.947 -0.701 . . . . 0.0 112.071 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -67.59 -43.65 80.02 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.695 -0.628 . . . . 0.0 110.895 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.606 ' HB ' HD22 ' A' ' 30' ' ' LEU . 11.3 pt -70.71 -17.47 20.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 C-N-CA 118.608 -1.237 . . . . 0.0 110.963 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.98 -36.61 48.73 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.74 -48.08 78.47 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -66.29 -27.04 67.62 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.299 0.571 . . . . 0.0 110.658 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -71.2 -32.36 68.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.043 -1.036 . . . . 0.0 110.008 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -66.44 -46.9 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -52.17 -51.3 58.89 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.937 0.399 . . . . 0.0 111.098 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.9 -41.57 98.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.03 -31.16 64.27 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.532 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.29 -36.67 82.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -64.79 -45.63 85.52 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.664 0.745 . . . . 0.0 110.1 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.67 -41.95 96.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.621 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' HZ1' ' A' ' 15' ' ' LYS . 83.4 mt -74.19 -43.14 58.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -63.99 -21.23 66.41 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 122.473 -0.142 . . . . 0.0 111.232 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -66.28 -16.1 63.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.95 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.08 80.26 1.4 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 116.97 1.548 . . . . 0.0 116.97 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -73.2 -7.84 53.21 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 64.6 -163.28 0.26 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.06 155.61 40.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.248 0.547 . . . . 0.0 112.157 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -79.44 73.95 6.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.781 0.801 . . . . 0.0 112.906 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.54 167.75 8.42 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 169.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -52.23 -27.47 14.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -94.95 -5.77 43.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.928 -0.483 . . . . 0.0 111.734 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -115.48 13.4 16.44 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.273 0.629 . . . . 0.0 110.605 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 8.19 0.53 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.82 -6.47 39.4 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.95 -60.7 2.76 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.73 -16.76 56.83 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.99 -37.68 88.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -71.81 -24.11 61.67 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.29 -36.58 79.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.94 -32.52 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.874 -0.516 . . . . 0.0 109.735 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.16 -33.29 67.61 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.865 -0.522 . . . . 0.0 110.117 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.27 -45.38 98.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -63.56 -25.78 68.4 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.651 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -77.64 -37.08 50.78 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.698 -0.627 . . . . 0.0 110.064 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.39 77.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.337 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -63.95 -36.23 83.28 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.682 -0.636 . . . . 0.0 110.952 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -65.27 -43.02 92.6 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.92 88.02 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.071 0.462 . . . . 0.0 111.356 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -61.72 -39.68 92.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.906 -0.496 . . . . 0.0 110.223 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -67.35 -36.14 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.127 -0.358 . . . . 0.0 110.355 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.57 -50.89 69.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.98 -42.6 85.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.63 -49.11 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -64.69 -32.2 73.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -75.25 -21.98 58.19 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -102.38 -7.64 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -68.42 -23.57 64.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -129.93 118.18 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -150.76 166.55 30.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 O-C-N 124.793 1.308 . . . . 0.0 112.661 -178.743 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 CA-C-O 118.914 -0.937 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -72.6 163.81 64.96 Favored Pre-proline 0 C--O 1.239 0.523 0 CA-C-N 118.155 0.978 . . . . 0.0 108.391 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.41 -31.52 91.44 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 117.386 -1.276 . . . . 0.0 113.032 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.52 -46.46 85.94 Favored 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.649 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.6 -19.45 65.78 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.395 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -80.02 -44.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -61.21 -38.84 88.02 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.781 0.801 . . . . 0.0 110.878 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -98.36 12.19 35.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.321 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -53.55 -42.37 67.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -79.89 -34.07 39.43 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.8 -0.562 . . . . 0.0 109.798 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.0 -48.09 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.8 ptp -69.08 -33.8 74.11 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.55 -45.35 90.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -58.18 9.54 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -48.76 -50.03 35.73 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.82 -39.14 90.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.661 -0.649 . . . . 0.0 112.087 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.33 -39.55 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.55 -22.87 43.28 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.899 -0.721 . . . . 0.0 112.017 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.0 98.19 Favored Glycine 0 C--O 1.208 -1.511 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.73 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.55 -40.48 97.1 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.695 1.248 . . . . 0.0 109.86 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -64.34 -34.58 78.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.05 -20.71 61.63 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 121.776 -0.578 . . . . 0.0 111.542 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.45 -33.17 62.86 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 30' ' ' LEU . 54.3 mt-10 -65.3 -40.27 93.58 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 123.374 1.559 . . . . 0.0 107.164 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -65.62 -26.2 67.72 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.242 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -75.87 -34.19 60.02 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 120.661 1.573 . . . . 0.0 110.916 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 27' ' ' GLU . 4.2 mp -55.13 -56.59 18.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 103.226 -2.879 . . . . 0.0 103.226 170.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -67.39 -35.52 79.48 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -172.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.94 -37.01 78.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.91 -55.12 32.9 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -65.75 -38.09 88.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 116.9 -1.92 . . . . 0.0 112.697 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.688 -0.633 . . . . 0.0 112.46 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.2 -29.88 66.85 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.31 -0.869 . . . . 0.0 109.764 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.09 -45.15 78.13 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.29 -45.51 84.06 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.34 -39.06 91.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.594 0.235 . . . . 0.0 110.89 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.62 77.57 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -73.82 -60.67 2.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 116.927 -1.909 . . . . 0.0 109.078 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.35 -44.48 44.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -96.1 -44.27 7.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -100.53 -3.32 30.93 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -169.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 70.58 -38.58 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p 68.51 145.25 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.632 1.973 . . . . 0.0 113.62 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.22 -21.64 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.35 42.26 1.1 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -51.5 136.38 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 64.39 -4.67 0.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.8 3.91 6.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.967 0.507 . . . . 0.0 112.012 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -38.51 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 -170.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -148.63 -60.99 0.24 Allowed 'General case' 0 C--O 1.241 0.611 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.5 mt 57.41 -173.93 0.08 Allowed 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.819 0.819 . . . . 0.0 109.337 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.04 -42.7 80.97 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.53 -50.45 72.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -78.69 -30.47 46.13 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.081 -1.048 . . . . 0.0 109.747 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.99 -48.73 80.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.18 -40.71 86.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.221 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.37 -36.17 58.28 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.65 -44.24 82.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 pt -74.3 -18.69 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.491 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -69.49 -42.48 74.71 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.25 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.53 70.81 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.985 0.898 . . . . 0.0 111.194 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -73.99 -24.51 59.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.75 -1.219 . . . . 0.0 111.44 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -71.48 -46.87 58.7 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -52.3 -50.65 61.77 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.43 79.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.89 92.86 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.841 0.829 . . . . 0.0 108.936 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 95' ' ' GLN . 39.9 mtt180 -62.53 -36.9 84.05 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.592 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.92 -31.32 67.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.22 -0.3 . . . . 0.0 110.697 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -67.02 -46.17 75.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -63.53 -39.86 95.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.38 -45.76 92.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -33.25 69.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.285 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -79.33 1.78 23.88 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.11 -0.636 . . . . 0.0 112.022 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.5 170.57 54.49 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-O 121.76 0.644 . . . . 0.0 111.901 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 t -134.36 -169.06 2.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.755 -0.85 . . . . 0.0 108.811 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 126.01 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.257 0.223 . . . . 0.0 111.333 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.15 143.58 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.552 1.541 . . . . 0.0 114.317 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.09 71.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.773 0.796 . . . . 0.0 109.244 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -71.41 -174.56 1.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.686 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -51.36 139.93 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 66.46 -10.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -106.28 13.08 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -69.25 7.59 0.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -134.53 8.52 3.63 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 117.594 0.179 . . . . 0.0 110.588 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -54.57 43.11 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.594 0.712 . . . . 0.0 109.785 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.49 -36.02 73.58 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.71 -22.58 64.34 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.5 tp -72.5 -34.69 67.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -73.34 -24.85 60.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.305 -0.872 . . . . 0.0 108.934 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 71' ' ' ARG . 95.2 mm-40 -73.68 -26.11 60.57 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.006 -1.059 . . . . 0.0 110.005 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.1 -40.42 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -58.95 -38.58 79.36 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.81 -36.35 75.57 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.18 78.58 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.5 -38.53 91.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.992 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -64.86 -34.22 77.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.732 -0.605 . . . . 0.0 110.831 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -68.11 -40.52 82.53 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.58 89.58 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.772 0.796 . . . . 0.0 110.174 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.71 -43.22 94.2 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.093 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -41.06 95.46 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.12 -0.363 . . . . 0.0 110.543 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.95 -51.62 63.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.94 -42.95 99.2 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.771 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.19 -42.65 95.49 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -66.49 -31.15 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.02 -20.76 51.9 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.0 p -100.86 -4.86 27.02 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -63.93 -27.62 69.27 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -152.46 160.86 43.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -116.24 10.74 14.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 124.61 1.164 . . . . 0.0 111.053 -175.01 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.962 0 CA-C-O 117.876 -1.514 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t 53.62 81.92 0.25 Allowed Pre-proline 0 N--CA 1.478 0.975 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.92 -8.85 10.47 Favored 'Trans proline' 0 C--N 1.35 0.641 0 N-CA-C 115.304 1.232 . . . . 0.0 115.304 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.55 -41.97 86.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.78 -29.38 70.34 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.177 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -78.83 -42.54 27.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.04 -43.54 91.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.592 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.96 6.14 49.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 p -45.51 -44.8 12.87 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 10.5 pttp -47.91 -71.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 57.6 mm-40 -81.01 -22.86 39.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.756 -174.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -48.69 74.48 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.6 -36.63 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.777 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.71 -38.17 90.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.01 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.95 -40.67 68.53 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.969 -0.457 . . . . 0.0 109.822 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.41 -40.37 82.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.8 ttt -62.72 -47.97 81.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.714 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -56.16 -51.73 66.92 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.41 0.55 . . . . 0.0 111.162 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -65.24 -38.55 90.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.752 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.9 mt -84.85 -25.24 28.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.28 -36.02 81.9 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.93 -37.46 87.98 Favored Glycine 0 C--O 1.215 -1.051 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.057 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.06 -39.75 95.67 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.266 1.033 . . . . 0.0 108.753 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -66.41 -35.71 80.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.53 -31.46 72.63 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.405 -0.81 . . . . 0.0 110.305 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.858 0.754 . . . . 0.0 110.127 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.56 -46.03 81.04 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 123.613 1.673 . . . . 0.0 107.042 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -64.58 -18.8 65.21 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.733 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -82.02 -34.12 29.73 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 119.562 1.074 . . . . 0.0 109.436 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -46.98 84.6 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 172.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -67.45 -36.71 81.73 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.99 -1.084 . . . . 0.0 113.571 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.27 -40.9 96.93 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.97 -53.11 61.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.941 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -41.46 79.6 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.647 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.53 -44.09 79.19 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 121.128 -0.982 . . . . 0.0 112.291 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -71.7 -31.17 66.45 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.42 -45.91 85.5 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.64 -48.0 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -62.56 -44.58 95.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.275 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.06 76.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.088 0.471 . . . . 0.0 110.07 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.18 2.95 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 118.459 -1.296 . . . . 0.0 108.324 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.48 -37.14 72.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -171.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -90.8 -46.09 8.43 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.438 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -98.2 -37.95 9.49 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 40.05 63.82 1.0 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -58.05 166.08 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.649 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.04 -23.38 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.7 -14.87 63.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -41.82 -35.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -171.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -55.97 -34.7 65.96 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.213 -0.304 . . . . 0.0 111.729 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -137.47 19.14 2.91 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.44 -15.97 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -134.49 -121.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.009 -0.432 . . . . 0.0 109.903 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.3 mt 62.06 177.37 0.13 Allowed 'General case' 0 C--O 1.244 0.781 0 CA-C-O 122.295 1.045 . . . . 0.0 110.853 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.32 -38.47 63.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.116 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -65.2 -54.9 22.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -30.21 66.36 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.972 -177.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -51.12 71.32 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 122.052 0.929 . . . . 0.0 109.432 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.34 -36.29 83.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.239 -0.913 . . . . 0.0 111.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.07 -38.91 72.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.41 -42.79 64.73 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.69 -31.26 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 174.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.41 -32.44 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.881 -1.137 . . . . 0.0 110.62 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.59 -45.26 72.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.34 75.25 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.834 0.826 . . . . 0.0 110.138 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -64.47 -34.69 78.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.772 -0.58 . . . . 0.0 110.679 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -66.28 -48.61 69.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.94 -48.86 72.61 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.576 0.703 . . . . 0.0 110.232 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.97 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -43.1 97.14 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.676 -0.64 . . . . 0.0 109.517 178.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -60.52 -38.59 84.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.11 -31.18 65.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.16 -0.337 . . . . 0.0 111.731 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.9 -41.85 74.16 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.991 -0.443 . . . . 0.0 110.046 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -63.31 -40.7 98.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.37 -45.84 92.69 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.343 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -41.47 78.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.932 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.34 -5.16 30.42 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.55 -160.56 13.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -155.38 -163.38 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.36 1.62 1.07 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -149.03 166.27 29.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -83.37 70.37 10.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.883 1.325 . . . . 0.0 110.672 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.45 165.52 2.79 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 113.04 -1.891 . . . . 0.0 111.045 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.7 m 52.29 26.43 4.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.757 0.823 . . . . 0.0 112.951 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 57.29 30.82 19.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.283 0.633 . . . . 0.0 110.671 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.421 ' C ' ' H ' ' A' ' 88' ' ' TYR . 47.7 mt-30 -80.77 58.12 3.22 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -74.71 26.77 0.09 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.417 1.087 . . . . 0.0 113.197 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' A' ' 86' ' ' GLN . 46.3 p90 -136.07 5.24 3.03 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.78 76.25 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.917 -0.489 . . . . 0.0 111.22 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.69 -17.63 61.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.417 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.97 -29.84 65.95 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.17 -32.79 74.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -40.27 83.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.006 0.432 . . . . 0.0 110.041 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.86 -34.96 78.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -76.93 -17.27 59.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.85 -42.4 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.0 -39.33 89.29 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.13 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.28 -44.31 83.93 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.047 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.37 76.28 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.07 -45.92 89.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -64.11 -33.72 76.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.955 -0.466 . . . . 0.0 111.406 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -67.43 -38.47 84.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.07 81.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.31 -49.12 77.13 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.08 -32.28 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.503 . . . . 0.0 111.834 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.61 -42.73 77.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.37 -34.95 79.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.7 -49.55 77.17 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -61.89 -31.02 71.27 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -78.04 -16.94 57.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 p -108.95 1.63 20.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 m -70.71 13.69 0.17 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.905 1.816 . . . . 0.0 115.905 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.31 156.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -144.88 152.39 40.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 103.339 -2.837 . . . . 0.0 103.339 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.15 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -145.54 166.95 15.62 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.01 -33.92 90.81 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 116.156 -2.096 . . . . 0.0 113.424 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 55.49 -177.09 0.04 OUTLIER 'General case' 0 C--O 1.243 0.75 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -60.93 -27.97 68.6 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.699 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -75.43 -40.45 57.62 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.579 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -80.84 -9.33 59.83 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 118.133 -1.427 . . . . 0.0 108.973 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.13 -20.02 38.87 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -57.54 -33.78 68.47 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -55.84 -56.39 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.027 0.441 . . . . 0.0 111.505 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -79.29 -37.62 37.31 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.462 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -55.0 -53.74 51.96 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.9 mmm -67.68 -41.82 83.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.551 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -62.98 -47.83 81.46 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.39 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.66 -49.77 61.17 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.5 ttp -56.97 -38.94 73.71 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.07 -48.07 81.86 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.952 -0.467 . . . . 0.0 110.801 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -72.04 -33.74 68.24 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.075 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.22 -28.15 66.99 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -83.74 -23.23 31.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.71 -0.619 . . . . 0.0 112.348 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.87 -41.33 97.78 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.65 82.13 Favored Glycine 0 C--O 1.209 -1.432 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.585 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.77 -37.92 87.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.827 1.314 . . . . 0.0 109.168 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -67.69 -37.73 82.72 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -60.8 -30.89 70.33 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.351 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.57 64.11 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.687 -0.633 . . . . 0.0 110.635 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.55 -44.4 74.59 Favored 'General case' 0 C--O 1.268 2.078 0 CA-C-O 124.311 2.005 . . . . 0.0 106.966 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.02 -19.34 65.82 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.171 -1.832 . . . . 0.0 109.211 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -83.54 -26.6 29.98 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 119.723 1.147 . . . . 0.0 109.545 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 65' ' ' ALA . 12.0 mt -59.75 -55.85 29.1 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 101.519 -3.512 . . . . 0.0 101.519 170.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.85 -41.3 87.61 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -173.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.12 -38.31 85.9 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.29 -41.81 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.043 -0.979 . . . . 0.0 111.54 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -39.88 88.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 117.2 -1.8 . . . . 0.0 110.832 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.8 -35.25 80.5 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.642 -1.223 . . . . 0.0 109.646 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.73 -44.18 94.3 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.72 -48.8 79.92 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -57.35 -51.97 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.648 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.76 -29.58 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.96 92.9 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -69.16 -60.12 2.56 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 117.763 -1.575 . . . . 0.0 108.031 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -48.3 -42.52 31.19 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -95.98 -46.39 6.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -99.63 -38.01 8.9 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -167.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.537 HH11 ' HB2' ' A' ' 115' ' ' ALA . 5.7 ptp85 33.85 49.82 0.29 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -60.9 176.42 0.4 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 115.073 1.508 . . . . 0.0 115.073 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.55 -12.68 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.114 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.57 13.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.752 -0.592 . . . . 0.0 111.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -48.87 -33.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.156 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -22.1 66.59 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.981 -0.449 . . . . 0.0 111.842 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -105.61 -25.36 12.3 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.403 0.681 . . . . 0.0 111.112 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 50.2 t -65.05 -13.55 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.403 0.681 . . . . 0.0 111.477 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -49.18 123.9 8.08 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -49.92 -52.79 30.54 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -60.71 -43.96 97.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.356 0.598 . . . . 0.0 110.852 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.5 -48.94 70.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.368 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -44.4 90.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.644 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.97 -48.3 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -56.53 -49.99 73.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.297 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -39.75 74.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.4 -44.8 67.22 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.878 -0.514 . . . . 0.0 111.412 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' HB ' HD22 ' A' ' 30' ' ' LEU . 8.1 pt -74.52 -17.57 16.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.981 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -74.6 -33.82 62.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.61 -47.16 70.47 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.31 -30.69 70.65 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.539 0.685 . . . . 0.0 110.042 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -66.35 -32.22 73.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.342 -0.849 . . . . 0.0 110.766 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -47.92 67.63 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -53.82 -49.94 67.27 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 110.601 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.27 89.71 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -62.93 -42.09 99.69 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.11 -44.4 96.73 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.03 -24.88 65.14 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 122.191 -0.318 . . . . 0.0 110.682 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -73.17 -43.48 61.4 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -40.47 96.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.28 -40.67 94.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -19.2 46.83 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -58.43 -20.35 44.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.729 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.99 27.89 71.42 Favored Glycine 0 CA--C 1.508 -0.397 0 N-CA-C 117.408 1.723 . . . . 0.0 117.408 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -65.92 113.79 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.14 4.45 10.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -149.72 135.88 18.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.96 55.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.8 0.81 . . . . 0.0 111.254 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -63.26 147.31 51.38 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -24.0 -46.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 120.79 3.626 . . . . 0.0 120.79 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -59.79 -40.74 89.29 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 118.912 0.778 . . . . 0.0 111.092 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -125.13 52.61 1.58 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -19.02 65.67 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -91.7 10.71 27.16 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.403 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.68 17.95 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.69 -16.81 60.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.949 -1.094 . . . . 0.0 109.717 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.43 -24.77 67.74 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 172.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.22 -23.45 62.02 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 120.807 -1.183 . . . . 0.0 109.942 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -77.47 -29.62 52.8 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.98 -40.21 91.02 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 173.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -33.95 77.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.847 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.04 -42.7 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -63.42 -35.23 79.72 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.068 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -72.48 -33.85 67.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.669 0.668 . . . . 0.0 110.58 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.68 87.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -39.65 95.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.181 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -65.07 -35.96 82.82 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.824 -0.548 . . . . 0.0 110.468 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.66 -45.25 94.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.66 98.43 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.942 0.401 . . . . 0.0 110.397 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.1 -41.97 99.48 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.46 0.647 . . . . 0.0 111.471 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -67.98 -32.45 72.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.555 0.693 . . . . 0.0 110.335 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.18 -36.29 74.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.68 -42.52 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -57.26 -49.84 74.77 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.0 p -65.18 -29.05 69.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.542 0.687 . . . . 0.0 112.163 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -11.25 59.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.136 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 p -128.06 12.09 6.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 m -66.8 -5.53 12.58 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -155.6 -177.18 6.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -136.66 169.28 17.97 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 123.641 0.776 . . . . 0.0 108.957 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.537 ' HB2' HH11 ' A' ' 45' ' ' ARG . . . . . . . . 0 C--O 1.247 0.964 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 118.757 -1.024 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m 50.42 60.35 15.1 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -70.04 -39.99 5.38 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 114.612 -3.126 . . . . 0.0 110.628 172.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.34 -170.25 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -51.66 -34.89 40.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -58.61 -58.36 8.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -79.39 -10.06 59.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.186 -0.947 . . . . 0.0 111.038 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.9 m-30 -86.98 -18.64 30.21 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.943 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -45.65 -36.95 5.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -172.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -63.0 1.28 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -82.84 -28.27 30.26 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -56.29 -51.51 67.92 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -40.56 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.722 -0.611 . . . . 0.0 111.434 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -61.19 -48.68 80.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.197 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -69.56 -42.6 74.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.05 -40.21 84.44 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttt -62.66 -51.65 66.41 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -39.76 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.086 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.18 -36.15 74.45 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.91 -0.494 . . . . 0.0 111.775 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.33 -26.32 38.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.55 -35.48 81.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.51 89.69 Favored Glycine 0 C--O 1.216 -1.019 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.1 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.05 -40.53 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.888 0.844 . . . . 0.0 109.244 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.56 -39.74 95.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -62.52 -28.87 70.15 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.638 -0.664 . . . . 0.0 110.498 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.56 68.03 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.915 0.779 . . . . 0.0 110.612 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.06 -41.73 85.96 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 124.052 1.882 . . . . 0.0 106.952 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.59 -18.13 65.2 Favored 'General case' 0 C--O 1.2 -1.502 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.834 175.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -81.08 -35.57 31.55 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.271 0.942 . . . . 0.0 111.101 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -65.95 -43.08 89.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 172.569 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -64.55 -36.79 85.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 118.851 -1.14 . . . . 0.0 113.589 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -46.07 91.03 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.36 -49.91 74.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.597 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -40.8 81.18 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.988 -1.485 . . . . 0.0 113.125 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -49.93 71.59 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 110.588 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -70.54 -27.18 63.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.736 -176.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -57.13 -43.82 82.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.46 -40.68 89.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.583 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.69 74.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.9 -61.88 1.72 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 117.445 -1.702 . . . . 0.0 107.305 172.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.88 -38.44 49.61 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -173.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -95.78 -46.5 6.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -101.11 -19.11 15.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -169.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 40.47 44.54 1.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.5 t -47.67 140.29 6.4 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.44 -6.72 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.053 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -71.75 6.42 1.98 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.59 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.5 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 12.9 p -47.68 -35.6 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.261 0.624 . . . . 0.0 112.662 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -22.57 67.02 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -101.69 -27.78 12.86 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 17.3 t -70.73 -13.13 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.083 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -41.35 123.8 2.2 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.753 1.263 . . . . 0.0 113.164 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -36.1 -58.28 0.67 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 119.85 3.278 . . . . 0.0 119.85 -166.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.82 -54.18 49.85 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 118.812 0.733 . . . . 0.0 112.729 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.81 -47.72 82.24 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -57.9 -50.02 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.307 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 mt -59.17 -49.31 78.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -60.92 -39.68 90.3 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.379 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -45.3 51.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.58 -44.03 75.25 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.743 0.783 . . . . 0.0 110.357 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.423 HG23 HD22 ' A' ' 30' ' ' LEU . 81.6 mt -63.12 -32.3 55.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -68.38 -32.25 72.19 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.057 -1.027 . . . . 0.0 111.653 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.09 -46.79 66.89 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.92 73.24 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.608 0.718 . . . . 0.0 110.989 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -63.72 -37.59 87.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.862 -0.524 . . . . 0.0 109.724 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.1 -46.78 75.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.204 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.07 -41.54 99.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.55 -37.87 87.84 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.203 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.89 -27.58 62.94 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.971 -0.456 . . . . 0.0 109.99 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.64 -46.39 47.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.07 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.31 -32.82 74.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.276 -0.89 . . . . 0.0 108.983 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.75 -49.81 74.91 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.544 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -13.67 62.23 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -98.08 -0.01 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.996 0.427 . . . . 0.0 110.72 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.19 17.34 19.45 Favored Glycine 0 CA--C 1.52 0.406 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.249 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 78.7 p -66.91 129.56 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 50.17 38.0 16.09 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.244 1.021 . . . . 0.0 109.943 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -117.25 -84.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.282 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 46.72 31.51 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.808 0.813 . . . . 0.0 113.097 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -70.41 174.38 5.78 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -50.14 -18.75 0.62 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -122.42 8.52 9.62 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.708 0.685 . . . . 0.0 111.061 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -129.31 12.82 6.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 21.37 0.1 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -123.97 9.34 8.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -176.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.94 -56.52 12.77 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.97 -22.44 64.1 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.613 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -63.65 -38.62 91.8 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 173.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.57 -25.57 67.48 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.503 -0.748 . . . . 0.0 110.109 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.02 -36.11 72.28 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 121.648 -0.658 . . . . 0.0 109.355 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.69 -41.19 98.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -69.2 -25.04 64.13 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.538 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.57 -40.37 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.2 ttm105 -60.02 -41.58 92.5 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.33 -31.07 69.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.275 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.71 -47.28 75.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.51 -40.64 97.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.484 0.659 . . . . 0.0 110.294 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.64 -38.6 85.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -67.24 -39.75 86.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.98 67.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.099 0.476 . . . . 0.0 110.7 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.18 -33.41 75.41 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -77.5 -23.98 50.17 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.926 -1.109 . . . . 0.0 111.731 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.25 -42.0 80.31 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -41.91 90.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.389 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -57.27 -50.93 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.9 p -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -77.97 -20.25 53.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.911 -0.493 . . . . 0.0 111.324 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -104.89 0.25 27.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.911 0.386 . . . . 0.0 111.857 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -73.02 9.85 1.08 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -120.95 142.7 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -154.01 44.41 0.57 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.215 0.531 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.501 -0.761 . . . . 0.0 110.843 -177.661 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 CA-C-O 118.82 -0.989 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -66.9 -51.07 40.08 Favored Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.93 148.99 65.2 Favored 'Trans proline' 0 C--N 1.357 0.997 1 C-N-CA 113.252 -4.032 . . . . 0.0 112.184 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -55.89 -36.6 67.82 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -57.41 -34.47 68.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.407 . . . . 0.0 112.039 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -95.63 -28.62 14.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -59.7 -41.67 91.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -86.88 -14.98 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.2 p -60.24 -27.49 67.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -61.66 -55.41 30.78 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.35 -27.57 34.87 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.362 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -62.27 -51.37 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 tpt -65.28 -38.95 91.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.46 -43.24 97.11 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.62 -47.11 76.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 82.9 mtp -55.69 -48.21 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.747 0.308 . . . . 0.0 110.279 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -63.12 -54.19 41.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.235 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -58.41 -46.68 85.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 0.0 111.699 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -74.64 -21.71 59.3 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.329 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 ' HD3' ' A' ' 76' ' ' ARG . 14.3 mt -80.64 -29.43 36.74 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.149 -0.969 . . . . 0.0 111.73 173.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -65.25 -39.29 92.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.13 -40.11 97.78 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.308 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.32 -39.84 94.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.104 0.952 . . . . 0.0 108.848 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -66.42 -35.56 80.61 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.654 -0.654 . . . . 0.0 110.105 176.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -63.61 -33.39 75.51 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.97 83.81 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.493 -0.754 . . . . 0.0 110.794 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HA ' HD13 ' A' ' 30' ' ' LEU . 68.7 mt-10 -63.97 -43.26 96.31 Favored 'General case' 0 C--O 1.276 2.483 0 CA-C-O 123.693 1.711 . . . . 0.0 108.652 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -58.22 -40.74 82.44 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.379 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.4 -30.4 69.31 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 119.115 0.87 . . . . 0.0 112.615 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 27' ' ' GLU . 4.7 mp -58.36 -60.58 3.56 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.14 -26.58 42.78 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -170.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.27 -29.8 57.58 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.5 -37.89 74.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.457 HE22 ' CG2' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.71 -57.5 10.61 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.526 173.173 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.04 -42.8 99.56 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.465 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -63.6 -41.49 98.31 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 122.082 -0.386 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.53 -46.48 85.83 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -59.95 -43.38 95.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.623 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -71.11 -35.96 71.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.636 0.653 . . . . 0.0 112.188 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.15 86.18 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -59.13 3.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.71 -1.196 . . . . 0.0 108.006 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -46.96 -45.05 20.57 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -95.99 -46.35 6.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -101.16 -22.52 14.66 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -168.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.23 54.09 0.99 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -41.53 156.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.56 -18.12 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.258 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -81.92 18.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.146 -0.346 . . . . 0.0 111.778 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -53.72 -33.55 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.11 -39.54 86.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -70.61 -35.87 73.2 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.25 -14.27 15.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -38.39 105.0 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.156 1.455 . . . . 0.0 114.458 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.1 mt -40.35 -51.11 2.82 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -164.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.52 -65.72 0.61 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.826 1.194 . . . . 0.0 112.158 -174.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -65.15 -42.41 93.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -57.93 -56.27 24.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.579 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.79 -37.32 87.2 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.809 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.11 -46.86 88.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.578 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.32 -35.14 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.031 0.443 . . . . 0.0 111.155 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -56.53 19.73 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 123.575 0.75 . . . . 0.0 109.907 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 ' CG2' HE22 ' A' ' 34' ' ' GLN . 16.2 pt -68.32 -19.53 24.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.377 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -75.99 -32.77 59.61 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 119.295 0.952 . . . . 0.0 108.664 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.84 -45.89 66.82 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.48 77.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.741 0.781 . . . . 0.0 109.637 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.63 -32.88 74.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.901 0.48 . . . . 0.0 111.193 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -65.43 -50.71 64.4 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -53.26 -47.07 69.41 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.982 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.68 91.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.49 -41.76 98.55 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.85 -43.81 97.84 Favored 'General case' 0 C--O 1.206 -1.197 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.06 -33.57 76.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.393 . . . . 0.0 110.498 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -66.04 -43.77 86.56 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.925 -0.484 . . . . 0.0 110.347 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.31 -30.71 65.04 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.641 -0.662 . . . . 0.0 110.794 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -39.13 82.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD3' HD21 ' A' ' 20' ' ' LEU . 36.7 ttp180 -60.05 -36.85 78.23 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 175.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -79.75 5.44 13.47 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.81 179.37 45.73 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.462 HG23 ' H ' ' A' ' 81' ' ' ASN . 6.9 t -148.02 -175.06 4.74 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.288 -1.125 . . . . 0.0 110.978 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.52 -21.44 60.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.462 ' H ' HG23 ' A' ' 79' ' ' THR . 24.1 t-20 -135.16 120.01 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.6 -47.61 76.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 58.74 162.74 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.172 0.987 . . . . 0.0 111.298 -171.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -52.1 -29.18 20.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -68.28 -38.64 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -121.13 31.31 6.42 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.947 -171.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -15.89 2.25 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -102.83 3.42 36.65 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.87 68.54 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.848 1.658 . . . . 0.0 111.994 -174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -68.57 -22.94 64.44 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.072 -1.017 . . . . 0.0 110.848 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.27 -36.05 71.58 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.31 -21.19 61.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.8 tp -74.22 -33.53 63.4 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -64.28 -39.01 93.07 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -71.07 -20.87 62.31 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.875 -0.516 . . . . 0.0 112.347 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -69.27 -42.04 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 171.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -63.83 -33.78 76.44 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.25 -46.8 79.11 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 117.965 0.348 . . . . 0.0 110.178 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.42 69.37 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.549 0.69 . . . . 0.0 109.249 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.69 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -64.42 -32.79 74.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.831 -0.543 . . . . 0.0 111.475 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -64.32 -44.78 90.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.91 91.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.68 0.752 . . . . 0.0 110.525 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.12 -49.18 78.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.932 -0.48 . . . . 0.0 110.719 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.81 -44.0 97.3 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.151 0.501 . . . . 0.0 110.503 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -58.37 -46.28 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.4 p -67.18 -27.07 66.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.841 -0.537 . . . . 0.0 112.063 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.47 -15.19 59.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.197 -0.314 . . . . 0.0 110.648 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 p -111.55 -14.37 13.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.7 m -60.49 -50.55 73.1 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 -174.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -161.59 149.31 14.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.38 -56.94 1.23 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 116.178 -1.868 . . . . 0.0 106.205 -177.615 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -69.69 164.76 47.79 Favored Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -56.25 -37.12 97.25 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 116.693 -1.738 . . . . 0.0 113.85 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.15 -47.9 80.73 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.96 -37.38 79.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.895 0.379 . . . . 0.0 110.513 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -63.83 -36.84 85.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.594 0.711 . . . . 0.0 109.153 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -87.01 12.16 11.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -57.62 -34.92 69.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -39.48 92.28 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.659 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.18 -29.73 26.37 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -57.9 -46.03 85.57 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.46 -43.24 81.53 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.606 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.75 -47.15 86.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -74.71 -30.14 61.43 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 ttp -59.91 -44.11 94.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.79 -49.38 76.58 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.506 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -59.46 -53.68 55.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.492 0.663 . . . . 0.0 111.943 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -88.15 -15.23 36.63 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -167.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 20' ' ' LEU . 16.2 mt -85.71 -30.68 22.95 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.207 -1.397 . . . . 0.0 108.798 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.27 -35.6 80.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.482 -2.414 . . . . 0.0 104.482 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.51 -37.79 94.89 Favored Glycine 0 C--O 1.213 -1.171 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.103 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.59 -41.39 96.27 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.157 0.978 . . . . 0.0 108.48 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.95 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -26.58 67.53 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.996 174.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.59 64.92 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HA ' HD13 ' A' ' 30' ' ' LEU . 50.6 tt0 -64.35 -45.1 89.28 Favored 'General case' 0 C--O 1.271 2.192 0 CA-C-O 124.286 1.993 . . . . 0.0 108.016 173.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -65.28 -18.75 65.56 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.483 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 p -77.17 -39.11 50.13 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 119.549 1.068 . . . . 0.0 108.972 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.1 mp -54.12 -56.32 19.21 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 102.585 -3.117 . . . . 0.0 102.585 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 34' ' ' GLN . 6.7 m-70 -67.18 -35.35 79.46 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -173.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.3 -36.05 82.88 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.041 0.837 . . . . 0.0 109.09 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -49.9 65.15 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -65.63 -36.6 84.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.055 -1.858 . . . . 0.0 111.622 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.37 -44.07 95.82 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.138 0.881 . . . . 0.0 111.078 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HD3' HD13 ' A' ' 107' ' ' LEU . 74.8 ttt180 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.769 -0.582 . . . . 0.0 109.937 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.8 -47.17 75.97 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -61.24 -42.42 98.59 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.83 -40.0 91.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.893 0.315 . . . . 0.0 111.032 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.07 97.4 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.41 -58.8 5.44 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 117.871 -1.532 . . . . 0.0 110.526 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -51.95 -44.06 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -172.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.7 -46.56 8.91 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.431 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.52 -38.08 8.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -172.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 28.95 54.56 0.1 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.431 1.082 . . . . 0.0 111.946 -176.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -77.13 -128.73 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.386 -171.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.6 m -60.88 -13.43 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 120.61 -1.306 . . . . 0.0 109.609 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.07 -33.72 72.45 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.645 1.178 . . . . 0.0 112.204 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.07 -25.46 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.502 0.592 . . . . 0.0 111.572 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -97.65 -8.15 29.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.251 -0.281 . . . . 0.0 111.592 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -135.23 1.67 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -50.62 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.208 0.913 . . . . 0.0 113.201 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.6 m80 49.68 53.03 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -39.72 -44.98 1.64 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.15 -48.38 78.69 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.471 -0.768 . . . . 0.0 110.005 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.65 -43.98 97.43 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -58.91 -56.48 21.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.689 0.618 . . . . 0.0 111.369 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.33 -47.37 85.64 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.43 -32.4 74.01 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 119.82 -0.752 . . . . 0.0 112.035 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.66 -46.59 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 119.099 0.863 . . . . 0.0 111.802 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -62.61 -43.88 97.69 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.7 pt -73.24 -17.64 17.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 120.857 -1.152 . . . . 0.0 113.637 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -73.45 -35.57 65.76 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.91 -43.57 74.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.66 73.95 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.803 0.811 . . . . 0.0 109.994 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.58 -30.71 71.74 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 121.589 -0.695 . . . . 0.0 110.373 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -70.59 -46.37 63.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.77 -53.11 56.91 Favored 'General case' 0 C--O 1.25 1.094 0 CA-C-O 121.517 0.675 . . . . 0.0 110.269 172.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.26 -38.3 76.67 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -64.3 -38.52 91.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.977 -0.452 . . . . 0.0 110.099 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -69.47 -39.32 77.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.46 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.07 -38.45 91.1 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.027 0.918 . . . . 0.0 108.806 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -65.66 -47.96 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.221 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.89 -31.5 72.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.901 -0.499 . . . . 0.0 110.121 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.52 -43.67 89.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -59.95 -30.52 69.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -79.18 -5.62 54.66 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 122.004 -0.435 . . . . 0.0 111.156 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.11 -156.55 10.31 Favored Glycine 0 CA--C 1.521 0.419 0 CA-C-O 121.827 0.681 . . . . 0.0 113.577 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 81' ' ' ASN . 10.0 t -165.35 -167.19 1.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.17 4.51 0.33 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.426 ' H ' HG23 ' A' ' 79' ' ' THR . 47.8 t-20 -82.08 84.66 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -85.93 31.5 0.62 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.359 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -68.07 157.38 35.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -29.59 -41.1 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 120.15 3.389 . . . . 0.0 120.15 -175.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -66.73 -30.63 70.91 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 88' ' ' TYR . 82.6 mt-30 -132.31 41.48 3.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 10.99 0.08 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' A' ' 86' ' ' GLN . 3.5 p90 -116.53 25.05 10.87 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 123.374 0.669 . . . . 0.0 111.867 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.61 -56.84 12.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.806 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.82 -16.84 59.32 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.752 -1.218 . . . . 0.0 109.994 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.66 -19.87 43.16 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.76 -51.93 67.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.97 -41.33 97.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.822 0.344 . . . . 0.0 110.216 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.64 -39.32 91.31 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.263 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.02 -34.31 64.08 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.611 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.15 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -56.45 -50.17 72.48 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.35 -27.92 59.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.35 -55.22 22.63 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.55 -43.22 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.991 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -62.85 -38.82 92.34 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -64.32 -46.7 82.41 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.62 80.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.509 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.15 -48.4 78.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.174 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -62.84 -40.58 97.87 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.55 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.49 -50.22 64.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD13 ' HD3' ' A' ' 36' ' ' ARG . 12.0 mt -60.59 -43.52 97.29 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.44 -53.19 61.1 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -57.45 -43.42 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.41 -20.69 50.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.534 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 -7.17 54.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.8 m -67.06 -24.08 65.94 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -77.37 113.78 15.51 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.12 133.61 56.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.638 0 N-CA-C 103.696 -2.705 . . . . 0.0 103.696 175.1 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.37 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -31.35 2.4 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 120.854 3.65 . . . . 0.0 120.854 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -71.81 162.73 41.11 Favored 'Trans proline' 0 C--N 1.358 1.079 0 C-N-CA 114.819 -2.987 . . . . 0.0 116.382 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -54.48 -40.42 68.45 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.08 -35.15 76.21 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.518 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.01 -37.78 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.314 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -86.98 -6.3 58.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -56.55 -32.62 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -59.39 -56.44 22.05 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -77.34 -32.76 55.36 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.966 -0.459 . . . . 0.0 109.824 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -58.92 -49.0 79.48 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 117.972 0.351 . . . . 0.0 110.099 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.9 mmm -69.31 -38.56 78.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.772 -0.58 . . . . 0.0 110.858 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.81 -43.57 98.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.72 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.76 -46.41 78.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.558 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 10.6 ttt -55.8 -46.09 78.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.932 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtm -66.06 -42.24 89.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.065 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.09 -42.32 94.18 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.123 0.487 . . . . 0.0 111.362 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.04 -24.35 43.66 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 20' ' ' LEU . 22.2 mt -79.4 -27.07 41.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.262 -0.899 . . . . 0.0 110.669 174.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.23 -44.88 95.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 170.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -38.97 95.69 Favored Glycine 0 C--O 1.209 -1.418 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.361 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.38 -41.86 93.31 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.406 1.103 . . . . 0.0 110.22 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.46 -35.25 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.31 -20.57 60.77 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.31 65.81 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.65 -41.36 88.37 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 123.4 1.571 . . . . 0.0 107.039 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -60.08 -34.75 73.88 Favored 'General case' 0 C--O 1.192 -1.956 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.553 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 p -68.6 -41.74 79.14 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 120.086 1.312 . . . . 0.0 112.115 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -50.71 72.78 Favored 'General case' 0 C--O 1.269 2.09 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -69.42 -29.39 67.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 117.434 -1.706 . . . . 0.0 115.319 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -70.08 -34.8 73.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.64 -47.9 83.29 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -34.4 69.09 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 116.747 -1.981 . . . . 0.0 114.379 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.34 -43.23 91.56 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.868 -1.145 . . . . 0.0 109.148 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.67 -19.8 62.03 Favored 'General case' 0 C--O 1.199 -1.595 0 O-C-N 121.48 -0.762 . . . . 0.0 109.698 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 1.7 tp -69.15 -44.77 71.63 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-N 119.68 1.127 . . . . 0.0 108.196 169.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -43.91 76.73 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.9 -36.17 72.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.9 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -83.19 -63.83 1.28 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 115.197 -2.601 . . . . 0.0 109.084 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -60.41 -40.65 91.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -96.02 -36.49 11.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.506 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -96.79 -37.67 10.18 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.694 2.479 . . . . 0.0 117.694 -170.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 46.73 54.96 8.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.519 0.676 . . . . 0.0 111.917 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -62.83 169.96 2.91 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.416 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 m -57.67 -26.34 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.06 19.44 18.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.9 -27.71 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.58 -29.41 70.01 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.236 0.541 . . . . 0.0 111.822 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -149.1 34.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -53.4 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 16.6 m170 -124.16 -60.19 1.44 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 111.294 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tp 61.29 -179.55 0.11 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.143 -174.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.35 80.1 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.194 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.326 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.299 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.24 -46.7 85.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.225 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -59.46 -39.73 84.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.887 -0.508 . . . . 0.0 110.026 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -72.66 -41.52 65.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.22 -41.26 77.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 109.814 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.417 HG21 HD13 ' A' ' 62' ' ' ILE . 7.1 pt -73.31 -17.61 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 118.341 -1.343 . . . . 0.0 110.209 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.37 -30.67 57.66 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 171.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.5 tp -67.63 -43.79 79.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 173.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.42 87.42 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.822 0.82 . . . . 0.0 110.528 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -65.4 -31.04 71.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.067 -1.021 . . . . 0.0 109.698 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -48.69 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -51.94 -45.06 64.19 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 122.362 -0.212 . . . . 0.0 110.722 171.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.07 86.8 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.84 -42.78 99.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.56 88.39 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -74.32 -24.09 59.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.984 -0.448 . . . . 0.0 111.31 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -43.94 63.95 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -63.05 -42.0 99.6 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.43 -42.99 95.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.538 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -16.86 63.57 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.559 -0.713 . . . . 0.0 110.931 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -97.75 7.49 46.31 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.086 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.01 152.56 50.31 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-O 122.227 0.904 . . . . 0.0 114.397 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 p -85.53 167.17 15.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -60.33 -29.72 69.06 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.468 0.651 . . . . 0.0 111.024 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 128.6 22.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -86.18 35.56 0.65 Allowed 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -66.8 -176.76 0.53 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.222 -0.924 . . . . 0.0 111.964 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m 43.51 63.4 1.56 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 68.31 -12.0 0.36 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -71.53 4.72 2.84 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -176.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -23.08 29.47 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.844 0.747 . . . . 0.0 111.85 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -61.24 -12.28 12.61 Favored 'General case' 0 C--O 1.206 -1.234 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.71 -56.43 9.31 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 119.272 0.942 . . . . 0.0 110.632 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -71.69 -18.01 62.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.91 -1.119 . . . . 0.0 108.812 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.72 -30.52 69.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.12 -26.65 67.55 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.3 tp -73.89 -35.24 64.67 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.335 -0.853 . . . . 0.0 109.635 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.69 -38.23 90.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.79 -31.52 69.49 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.436 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.18 -45.59 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -59.79 -42.11 92.67 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.72 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -71.75 -29.14 64.19 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.877 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.77 66.02 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -42.11 98.6 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.182 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -63.99 -34.53 78.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.21 0.529 . . . . 0.0 111.744 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -65.77 -42.56 90.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.79 98.63 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 123.28 0.362 . . . . 0.0 110.168 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.87 -50.84 69.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.517 0.675 . . . . 0.0 111.18 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.15 -53.81 50.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.14 -35.23 76.52 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.9 -50.9 71.53 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -60.49 -36.17 77.69 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -78.09 -20.59 51.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.294 0.568 . . . . 0.0 110.072 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.4 p -103.46 5.67 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.3 m -62.44 -11.93 18.83 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.4 t90 66.42 158.51 0.12 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -153.05 -47.31 0.1 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.119 -0.943 . . . . 0.0 112.485 -178.399 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 CA-C-O 119.002 -0.888 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -70.73 146.72 93.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 117.768 0.784 . . . . 0.0 109.785 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.64 -37.35 58.07 Favored 'Trans proline' 0 C--N 1.353 0.775 0 N-CA-C 113.627 0.587 . . . . 0.0 113.627 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 55.51 -177.71 0.04 OUTLIER 'General case' 0 C--O 1.245 0.833 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -53.54 -32.18 49.52 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.154 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -54.38 -61.68 2.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.803 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -77.13 -9.52 58.8 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.415 -0.803 . . . . 0.0 112.283 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -21.06 28.22 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.912 0.863 . . . . 0.0 109.884 176.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -59.99 -39.46 85.82 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -45.75 91.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -82.78 -31.51 28.23 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -63.13 -43.33 98.69 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.536 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.28 -39.13 93.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.982 -0.449 . . . . 0.0 109.948 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.71 -43.55 93.09 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.677 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -63.11 -51.23 67.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -64.76 -26.45 68.36 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.305 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.3 ttp -63.87 -44.95 91.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -66.52 -50.17 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.137 0.97 . . . . 0.0 110.366 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.06 -34.02 77.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.263 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -88.99 -27.51 20.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.407 -0.808 . . . . 0.0 112.99 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.94 -35.0 74.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 173.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.45 91.15 Favored Glycine 0 C--O 1.211 -1.34 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.7 -46.46 88.05 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.858 0.837 . . . . 0.0 108.973 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -66.15 -35.74 81.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -66.71 -26.79 67.18 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.832 -0.542 . . . . 0.0 111.347 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.0 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -68.14 -41.46 81.58 Favored 'General case' 0 C--O 1.272 2.246 0 CA-C-O 123.665 1.698 . . . . 0.0 108.874 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -62.7 -33.45 75.13 Favored 'General case' 0 C--O 1.194 -1.84 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.365 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 p -68.57 -43.65 76.11 Favored 'General case' 0 C--O 1.203 -1.372 0 CA-C-N 119.174 0.897 . . . . 0.0 111.817 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -46.49 89.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -73.34 -24.32 60.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 116.206 -2.197 . . . . 0.0 115.021 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.58 -40.21 76.88 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -49.13 75.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.4 -57.35 13.15 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.864 -1.135 . . . . 0.0 113.382 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.17 -43.82 97.2 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -73.45 -34.53 65.45 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.109 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.13 -37.97 72.3 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.423 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -57.07 -42.61 80.97 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -71.21 -35.1 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.57 82.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.77 -59.06 3.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 171.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.06 -50.14 11.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.44 -40.96 8.43 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -97.85 -6.21 32.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 71.26 -34.66 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m 69.96 126.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.884 1.365 . . . . 0.0 109.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.15 -35.7 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.47 46.0 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.753 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.28 -28.32 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.35 -27.29 67.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.769 -0.582 . . . . 0.0 112.428 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.14 45.01 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.009 -171.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -44.4 -44.25 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.134 0.574 . . . . 0.0 112.478 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -150.8 -55.47 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.944 0.402 . . . . 0.0 111.309 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt 58.25 -175.04 0.08 Allowed 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.538 0.685 . . . . 0.0 109.225 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -56.83 -42.38 79.52 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.471 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.19 -56.16 24.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -28.82 48.79 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.509 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.24 -47.41 86.09 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -60.54 -38.0 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -74.08 -33.35 63.62 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.4 -52.02 67.01 Favored 'General case' 0 C--O 1.253 1.255 0 CA-C-O 123.168 1.461 . . . . 0.0 107.812 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.67 -33.73 58.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.544 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.47 -35.35 77.43 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.668 0.667 . . . . 0.0 111.866 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.82 -48.51 66.03 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.52 71.33 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.516 0.674 . . . . 0.0 110.328 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -64.86 -34.4 78.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -69.21 -48.15 62.83 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -51.28 -48.86 62.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 122.654 1.216 . . . . 0.0 111.301 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.62 73.18 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.253 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -62.48 -43.53 98.58 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -61.95 -46.53 88.89 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.291 0.567 . . . . 0.0 109.529 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.13 -29.81 70.7 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.158 0.504 . . . . 0.0 111.292 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -79.9 -32.24 40.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.78 -35.04 76.55 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.14 76.88 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -56.57 -22.33 32.8 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.308 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.38 -30.45 64.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 117.758 0.254 . . . . 0.0 110.633 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.56 31.15 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 N-CA-C 117.426 1.73 . . . . 0.0 117.426 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.7 m -76.31 128.31 34.62 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 117.705 0.752 . . . . 0.0 111.976 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -103.64 -36.12 8.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.811 0.815 . . . . 0.0 109.758 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -167.28 -162.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.94 58.44 0.15 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 122.219 1.009 . . . . 0.0 111.0 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -57.31 145.87 30.67 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -52.05 -24.31 6.55 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -77.08 -31.07 55.76 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 117.641 0.201 . . . . 0.0 111.305 177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -125.35 80.47 1.89 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.43 1.5 21.96 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -117.59 21.93 12.69 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.978 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -56.63 14.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.188 -0.945 . . . . 0.0 111.944 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -74.28 -19.37 60.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.18 -32.63 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.8 -26.69 67.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.091 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.19 -31.14 60.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -36.88 78.3 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.42 -26.44 61.85 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.499 -0.751 . . . . 0.0 111.262 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.49 -42.99 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -59.18 -42.75 91.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -70.31 -32.24 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.89 -54.0 50.4 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.38 -44.32 95.75 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.13 -40.59 94.36 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.877 0.471 . . . . 0.0 111.654 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.61 -42.36 95.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.87 -43.58 75.08 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.84 -49.81 74.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.103 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -74.93 -18.41 60.4 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.45 -48.83 30.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -36.21 83.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.847 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.24 -47.45 83.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -63.54 -31.34 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.281 -0.262 . . . . 0.0 111.652 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -73.9 -24.79 59.75 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.569 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -92.94 -12.34 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.807 0.337 . . . . 0.0 111.777 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.2 m -75.15 -11.48 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -140.83 129.27 22.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 112.505 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -83.03 151.84 25.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.339 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.986 178.662 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 CA-C-O 118.869 -0.962 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 p -72.26 149.94 91.83 Favored Pre-proline 0 C--O 1.24 0.601 0 CA-C-N 118.349 1.074 . . . . 0.0 110.466 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.49 161.39 31.6 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 120.302 0.668 . . . . 0.0 112.657 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -49.42 -50.8 39.08 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -60.52 -33.76 73.11 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -85.36 -39.74 17.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.275 0.56 . . . . 0.0 109.822 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.94 -41.87 98.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.418 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -108.11 31.29 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.837 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -52.87 -32.13 43.24 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.114 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -68.48 0.19 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -28.94 53.97 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.903 -0.498 . . . . 0.0 110.55 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -60.9 -47.53 85.99 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.606 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mtm -71.4 -40.88 70.25 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.75 -0.594 . . . . 0.0 109.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -56.59 -48.29 77.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.626 0.25 . . . . 0.0 110.457 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -66.35 -47.49 73.28 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -53.83 -46.61 71.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.099 0.409 . . . . 0.0 111.051 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.03 -40.27 95.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.096 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -72.53 -37.26 68.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.311 -0.556 . . . . 0.0 112.454 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.08 -39.53 90.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.09 -22.8 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.073 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.55 -37.58 85.38 Favored Glycine 0 C--O 1.212 -1.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.27 -41.31 96.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.363 1.082 . . . . 0.0 109.586 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.35 -34.03 77.21 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -68.92 -23.02 64.12 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 121.139 -0.976 . . . . 0.0 111.38 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.76 63.61 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -65.72 -45.42 82.78 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 123.819 1.771 . . . . 0.0 108.325 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -59.48 -36.28 75.72 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.801 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 p -67.43 -38.23 84.24 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 119.271 0.941 . . . . 0.0 113.052 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -45.5 77.17 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -66.75 -38.99 87.74 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.38 -36.09 82.55 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.83 -43.73 87.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.513 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.81 82.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 117.148 -1.821 . . . . 0.0 109.347 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.2 -32.19 73.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.815 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -72.74 -29.22 63.16 Favored 'General case' 0 C--O 1.206 -1.208 0 O-C-N 121.862 -0.524 . . . . 0.0 110.008 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.45 -46.5 66.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -54.29 -49.46 69.55 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -62.26 -43.52 98.64 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.635 0.255 . . . . 0.0 111.638 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.18 76.75 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -77.44 -63.96 1.25 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 115.997 -2.281 . . . . 0.0 108.911 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.91 -43.88 66.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -95.78 -39.06 10.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.78 -33.99 11.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -168.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 36.11 50.65 0.72 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -67.1 -179.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.124 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.6 m -58.82 -16.46 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.95 -0.469 . . . . 0.0 111.87 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.87 -9.67 58.58 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.85 -32.37 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -176.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.36 -38.19 24.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.913 0.863 . . . . 0.0 110.3 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.73 21.99 9.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.033 -173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.7 -34.04 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.1 m80 47.85 54.28 10.19 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -38.1 -42.25 0.64 Allowed 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.6 -49.18 78.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.902 0.858 . . . . 0.0 111.716 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.49 -37.42 77.22 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.169 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -46.79 79.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.192 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.81 -44.96 96.19 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.57 -45.01 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.229 -0.588 . . . . 0.0 112.082 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -82.64 -30.99 28.98 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.38 -43.64 73.14 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.97 -33.21 62.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.05 -36.02 81.13 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.686 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.92 -48.32 71.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.81 76.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.324 0.583 . . . . 0.0 110.357 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.994 -0.441 . . . . 0.0 110.851 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.99 -52.92 57.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -52.17 -45.27 65.03 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.309 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.55 92.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -63.28 -41.36 99.0 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.16 -39.08 93.24 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.95 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.41 -33.4 72.94 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.585 -0.697 . . . . 0.0 109.834 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.62 -48.09 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.17 -31.63 69.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.764 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -60.45 -46.39 90.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -33.31 73.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.552 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -84.88 5.74 27.65 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.477 0.656 . . . . 0.0 110.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -155.96 13.39 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.905 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -135.22 165.13 26.13 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.68 11.59 0.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.71 143.03 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -74.07 47.53 0.28 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -60.76 144.17 52.93 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.6 -33.75 0.5 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -173.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -63.78 -33.04 74.77 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 118.334 0.516 . . . . 0.0 111.118 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -129.34 50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -58.55 -27.0 64.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.312 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -97.47 19.73 12.87 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.45 -59.5 3.94 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.511 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 120.452 -1.405 . . . . 0.0 109.377 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.5 -34.06 76.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -66.67 -34.12 77.15 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.0 -33.63 74.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.23 -39.87 93.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.48 -25.24 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.739 -0.601 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.38 -42.95 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -60.96 -38.15 84.89 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -71.82 -30.67 65.74 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 118.549 0.613 . . . . 0.0 111.998 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.71 66.27 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.7 -34.29 72.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.127 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -69.17 -32.5 71.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.0 -0.438 . . . . 0.0 111.855 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -63.91 -42.3 97.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.38 90.88 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.257 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.21 -47.28 86.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.774 0.429 . . . . 0.0 111.441 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.9 -32.94 72.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.532 . . . . 0.0 110.721 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.05 -42.76 93.94 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.56 -38.52 90.4 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -58.74 -50.2 74.8 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 p -60.3 -35.93 76.71 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.862 0.363 . . . . 0.0 111.211 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.07 -3.54 42.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.716 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 p -126.87 7.28 6.7 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.701 0.4 . . . . 0.0 111.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 m -69.05 5.73 1.11 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.9 m95 61.47 -152.45 0.37 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 67.68 151.28 0.07 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.035 1.734 . . . . 0.0 112.745 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.839 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 -179.872 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 CA-C-O 118.27 -1.294 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -118.1 84.85 22.71 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -70.67 -12.56 31.36 Favored 'Trans proline' 0 C--N 1.349 0.558 0 N-CA-C 113.574 0.567 . . . . 0.0 113.574 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -60.18 -32.61 71.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.154 -0.341 . . . . 0.0 111.517 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -66.96 -31.2 71.61 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.68 -0.637 . . . . 0.0 110.261 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -77.63 -37.37 50.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.53 -38.1 86.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 110.724 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -102.8 15.16 30.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.54 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 p -55.46 -37.28 67.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -42.69 99.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 111.51 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -76.66 -39.7 51.36 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -59.77 -41.22 90.6 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.271 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.5 ttm -66.25 -49.12 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.733 0.242 . . . . 0.0 110.497 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.92 -49.85 76.26 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.362 0.601 . . . . 0.0 110.356 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -61.98 -55.6 27.68 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.432 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -58.44 -35.51 72.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.946 1.248 . . . . 0.0 111.569 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.8 tpp -60.53 -49.41 77.64 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -83.77 -31.24 26.05 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -72.08 -36.35 69.51 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.67 -22.09 32.22 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.91 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.14 -39.99 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 169.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.75 -37.53 92.43 Favored Glycine 0 C--O 1.218 -0.869 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.636 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.59 -40.76 96.1 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.431 1.115 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -67.54 -36.11 80.36 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -61.88 -31.48 71.77 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.747 -0.595 . . . . 0.0 109.498 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.74 63.33 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.513 -0.742 . . . . 0.0 110.906 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . 51.5 tt0 -67.47 -45.07 77.0 Favored 'General case' 0 C--O 1.276 2.478 0 CA-C-O 124.236 1.969 . . . . 0.0 107.301 174.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -59.11 -33.26 70.63 Favored 'General case' 0 C--O 1.191 -2.021 0 CA-C-N 112.667 -2.061 . . . . 0.0 107.715 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -72.11 -31.03 65.66 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 119.568 1.076 . . . . 0.0 112.06 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 27' ' ' GLU . 5.7 mp -59.56 -55.7 31.21 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 171.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.3 -31.72 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -69.43 -36.12 76.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.45 -51.13 68.71 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -37.39 84.31 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 117.266 -1.774 . . . . 0.0 112.478 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -48.01 80.04 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.665 -0.647 . . . . 0.0 111.365 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -35.58 78.07 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.181 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.23 -49.08 77.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.01 -44.73 96.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.04 -49.09 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.964 0.411 . . . . 0.0 110.465 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.62 69.84 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.79 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -69.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 117.355 -1.738 . . . . 0.0 107.204 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -54.03 -36.26 62.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -171.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.96 -46.26 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.91 -17.67 17.47 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 68.0 -13.27 0.28 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p 65.94 153.59 0.07 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.53 1.532 . . . . 0.0 114.492 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.13 -13.1 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -83.47 14.65 3.54 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.234 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -29.94 -47.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.57 -25.24 67.89 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 64.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -44.5 -52.33 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 5.2 p80 -148.73 -72.81 0.19 Allowed 'General case' 0 C--O 1.239 0.524 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.528 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 53.7 mt 56.88 -170.9 0.09 Allowed 'General case' 0 C--O 1.254 1.32 0 CA-C-O 122.014 0.911 . . . . 0.0 111.398 -176.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.01 70.14 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.175 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -57.93 -56.07 26.79 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -72.4 -33.54 67.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 118.637 -1.225 . . . . 0.0 110.708 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.45 -44.82 95.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.435 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -65.12 -38.29 90.19 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.95 -29.8 61.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -77.31 -40.88 42.74 Favored 'General case' 0 C--O 1.248 0.995 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.71 -35.08 57.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -67.48 -34.01 76.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.728 1.149 . . . . 0.0 110.709 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -51.27 67.13 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.5 81.16 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.924 0.869 . . . . 0.0 111.516 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.46 -36.29 83.44 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.78 -0.575 . . . . 0.0 110.183 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -67.32 -47.29 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -52.31 -56.17 16.57 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.874 0.368 . . . . 0.0 111.055 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 -42.47 83.76 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -63.87 -40.96 97.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.831 -0.543 . . . . 0.0 109.548 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -68.78 -31.32 70.25 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.302 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -71.04 -31.07 67.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 118.527 0.603 . . . . 0.0 109.76 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -67.34 -44.43 79.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.63 -34.03 77.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.005 0.431 . . . . 0.0 109.921 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 tp -64.82 -45.36 86.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.449 0.643 . . . . 0.0 109.987 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.3 tpt85 -59.1 -31.09 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.296 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -76.42 -6.64 52.54 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.96 163.62 54.93 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.928 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 t -135.14 116.2 14.25 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.48 -47.63 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 120.843 3.646 . . . . 0.0 120.843 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.22 167.17 29.46 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 119.698 1.135 . . . . 0.0 113.237 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.88 10.46 9.64 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -175.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -74.79 -179.57 4.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.537 -1.352 . . . . 0.0 108.881 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.6 m 47.15 53.48 10.65 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.44 13.22 1.72 Allowed 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -177.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -79.53 12.42 2.51 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 118.683 0.674 . . . . 0.0 111.223 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -60.68 -22.28 63.74 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -57.86 -22.05 46.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.844 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.74 -61.46 2.06 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.93 -16.86 57.85 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 120.644 -1.285 . . . . 0.0 108.534 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.71 -34.0 75.01 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 171.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.49 70.94 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.434 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.14 -36.51 82.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.12 -39.38 93.92 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -71.12 -23.01 62.01 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.594 -0.691 . . . . 0.0 111.512 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 t -70.16 -41.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.4 -38.39 83.84 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -71.87 -31.76 66.79 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.39 73.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.25 -33.27 75.58 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.909 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -68.16 -35.2 77.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -66.2 -41.21 90.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.79 96.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.01 -49.43 76.88 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.432 0.693 . . . . 0.0 109.689 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.21 -42.98 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.26 -44.24 95.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.06 -42.53 98.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.702 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.85 -49.92 75.91 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p -61.56 -34.05 74.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.055 0.455 . . . . 0.0 111.859 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.01 -20.74 51.94 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.256 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.6 p -95.05 -13.04 25.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.4 m -68.41 9.83 0.3 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 30.22 101.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -105.6 -43.55 4.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.209 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 CA-C-O 118.787 -1.007 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -70.8 140.87 86.69 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -63.3 155.02 64.36 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 118.197 -0.736 . . . . 0.0 113.032 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.45 -36.24 75.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.25 -42.46 73.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.949 0.404 . . . . 0.0 111.084 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -80.61 -38.64 28.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.723 0.297 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -59.26 -40.41 85.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.22 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -98.59 4.82 48.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -45.72 -43.1 12.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.62 -56.13 26.14 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 60.6 mm-40 -79.0 -27.42 43.33 Favored 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.952 -0.467 . . . . 0.0 109.856 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.8 -49.14 78.7 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.04 -42.42 89.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.72 0.295 . . . . 0.0 110.586 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -63.4 -40.39 97.09 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.281 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -64.95 -51.35 62.31 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -55.32 -39.71 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.442 0.464 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.46 -47.37 82.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.307 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -60.63 -42.98 97.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.662 0.268 . . . . 0.0 110.284 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.74 -43.86 87.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.006 0.432 . . . . 0.0 110.733 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.77 -26.29 54.34 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.9 -35.35 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.13 -38.83 88.51 Favored Glycine 0 C--O 1.212 -1.26 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.691 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.01 -41.08 97.58 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.158 0.979 . . . . 0.0 109.385 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -63.04 -39.26 94.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -65.29 -25.1 67.49 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.613 -0.68 . . . . 0.0 111.836 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.28 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.88 0.764 . . . . 0.0 109.37 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.8 -42.56 90.56 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 123.669 1.7 . . . . 0.0 107.881 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.88 -29.67 70.93 Favored 'General case' 0 C--O 1.202 -1.441 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.027 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -72.48 -42.91 64.38 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 118.957 0.799 . . . . 0.0 112.443 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.86 82.3 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -65.16 -37.24 86.75 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.171 -1.412 . . . . 0.0 113.916 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.15 -44.22 92.81 Favored 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -54.66 -52.04 63.6 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.401 HE22 ' CG1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.28 -44.26 72.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.934 178.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -40.9 91.84 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.32 0.964 . . . . 0.0 110.388 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.85 -37.76 73.15 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.642 0.377 . . . . 0.0 110.148 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.18 -48.48 73.31 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -57.95 -44.3 86.9 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.596 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -65.28 -46.87 78.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.689 0.28 . . . . 0.0 111.206 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.06 74.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -63.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 117.337 -1.745 . . . . 0.0 109.821 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.41 -38.87 75.0 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -170.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -91.81 -46.04 8.08 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.069 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -97.57 -39.54 9.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 142.11 -58.69 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.987 2.115 . . . . 0.0 111.352 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 m 69.58 139.59 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.918 1.287 . . . . 0.0 110.516 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.91 -40.76 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.78 41.91 0.82 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.63 126.75 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 66.27 -43.23 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.933 1.693 . . . . 0.0 113.166 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -66.17 -7.37 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.795 1.238 . . . . 0.0 113.218 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.19 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.363 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 77.0 m80 47.88 73.38 0.21 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.52 -38.94 15.03 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.674 1.124 . . . . 0.0 110.924 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.04 -46.8 87.32 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -64.73 -45.8 84.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.077 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.7 mt -59.08 -47.18 86.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.38 -48.79 76.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.926 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.65 -48.39 66.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.83 -42.72 63.5 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.407 0.622 . . . . 0.0 111.773 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.401 ' CG1' HE22 ' A' ' 34' ' ' GLN . 63.5 mt -64.45 -36.79 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -67.19 -28.91 68.49 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.148 1.34 . . . . 0.0 111.259 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -50.11 62.36 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.11 73.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.474 0.654 . . . . 0.0 110.53 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -65.57 -36.52 84.01 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.978 -0.451 . . . . 0.0 109.913 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -63.67 -51.14 66.45 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.17 -45.88 68.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 111.437 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.17 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -63.41 -41.67 98.73 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -61.26 -39.65 91.17 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.0 -24.29 60.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.543 0.211 . . . . 0.0 111.071 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -73.24 -46.48 49.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.77 -32.52 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -48.52 73.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -16.48 64.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.46 7.19 47.12 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.675 175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.69 173.24 45.28 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -136.84 179.82 6.14 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.763 -0.846 . . . . 0.0 109.531 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.67 -27.53 69.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -87.27 92.86 9.22 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.244 0.545 . . . . 0.0 110.465 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -83.48 82.23 8.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -54.61 145.48 18.84 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.77 -27.96 45.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -92.29 8.65 37.33 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.999 -0.438 . . . . 0.0 111.443 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -131.33 25.97 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -65.02 -10.54 30.55 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.524 0.678 . . . . 0.0 111.432 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -17.5 59.1 Favored 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.664 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.82 12.06 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.105 -0.997 . . . . 0.0 113.013 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -76.48 -16.92 59.55 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.658 -1.276 . . . . 0.0 108.769 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.7 -30.17 71.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.64 -22.9 65.3 Favored 'General case' 0 C--O 1.221 -0.435 0 O-C-N 121.074 -1.016 . . . . 0.0 109.698 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.03 -33.11 61.73 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.61 -35.45 78.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.78 -33.07 74.8 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.621 -0.674 . . . . 0.0 110.856 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.45 -43.27 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.08 -43.45 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -72.16 -30.0 64.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.73 69.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.06 -39.49 92.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.423 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -62.39 -36.11 81.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -68.4 -38.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.546 -0.721 . . . . 0.0 109.252 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.53 95.75 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.198 0.523 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.65 -46.68 88.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.746 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -37.87 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.804 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.89 -51.98 59.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.82 -43.36 80.93 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.271 0.558 . . . . 0.0 111.079 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -47.09 82.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -66.34 -28.49 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -78.09 -16.51 57.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.1 p -114.13 -27.15 7.77 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.903 2.927 . . . . 0.0 118.903 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 -51.52 66.74 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 121.461 3.875 . . . . 0.0 121.461 -168.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -144.65 122.59 12.03 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 118.345 2.72 . . . . 0.0 118.345 -171.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 48.58 -138.82 0.8 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 114.487 -1.233 . . . . 0.0 114.301 171.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 N-CA-C 102.361 -3.2 . . . . 0.0 102.361 176.696 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 CA-C-O 118.728 -1.04 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -70.07 134.99 87.31 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -76.72 166.66 26.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 117.616 -1.123 . . . . 0.0 112.176 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -57.25 -37.13 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -55.79 -38.87 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.376 . . . . 0.0 111.57 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.36 -36.85 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -56.08 -46.81 78.87 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -95.96 3.34 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -177.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.8 p -53.27 -40.2 64.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -40.01 95.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.0 -26.91 25.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.33 -51.97 66.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.5 ttp -60.21 -43.7 95.76 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.8 -50.82 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -68.18 -44.48 75.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.463 ' HG3' ' HE ' ' A' ' 76' ' ' ARG . 66.7 ttp -58.9 -43.05 90.96 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.153 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.36 -47.83 75.06 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -60.53 -46.55 89.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 111.755 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.79 -32.05 61.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.865 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.35 -30.26 57.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.116 -0.99 . . . . 0.0 110.711 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.13 -37.88 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.86 98.07 Favored Glycine 0 C--O 1.212 -1.258 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.35 -40.52 96.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.233 1.016 . . . . 0.0 110.118 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -64.47 -34.02 77.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -71.28 -21.22 62.12 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.842 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.55 -30.34 57.04 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -67.26 -44.78 78.53 Favored 'General case' 0 C--O 1.28 2.679 0 CA-C-O 124.422 2.058 . . . . 0.0 106.806 172.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.24 -30.11 70.25 Favored 'General case' 0 C--O 1.179 -2.621 0 CA-C-N 113.056 -1.884 . . . . 0.0 107.854 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.6 p -70.38 -30.96 68.0 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 119.909 1.231 . . . . 0.0 111.338 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD23 ' HB3' ' A' ' 65' ' ' ALA . 6.3 mt -56.99 -55.57 32.91 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 101.578 -3.49 . . . . 0.0 101.578 172.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.15 -33.6 73.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.64 -35.32 77.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.47 63.21 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.32 -34.62 78.4 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 116.85 -1.94 . . . . 0.0 112.615 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.18 -46.34 74.24 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.22 -0.925 . . . . 0.0 110.916 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -65.38 -35.18 80.18 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.8 -45.31 93.25 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.534 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 -57.75 -48.83 78.52 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.96 -38.22 90.27 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -69.47 -59.12 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.58 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -49.2 -41.71 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -95.63 -46.3 6.68 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -101.03 -37.98 8.38 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 116.609 2.078 . . . . 0.0 116.609 -168.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 45.89 55.62 6.8 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.1 p -62.59 165.61 6.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.48 -8.15 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.176 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.22 -2.68 22.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.104 -0.372 . . . . 0.0 111.395 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -45.28 -31.13 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -59.14 -25.07 63.55 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -137.27 6.05 2.78 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -13.62 17.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.04 -132.23 0.08 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt 63.07 170.43 0.15 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 110.872 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.13 -31.21 65.11 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.195 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.84 -59.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -26.05 39.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.808 -175.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.6 tp -58.89 -49.69 76.82 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -58.49 -45.57 88.47 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.514 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -66.19 -40.31 90.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.54 -45.37 68.94 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 118.945 0.793 . . . . 0.0 109.625 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.564 ' HB ' HD22 ' A' ' 30' ' ' LEU . 16.9 pt -69.74 -20.04 23.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.189 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -77.1 -32.33 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.45 -0.781 . . . . 0.0 108.979 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -44.64 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.603 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.98 -34.63 76.51 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.566 176.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.2 -29.18 67.97 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.983 -1.073 . . . . 0.0 110.844 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -66.47 -51.85 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.4 -46.37 56.19 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.875 0.369 . . . . 0.0 111.334 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.72 87.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -62.97 -40.49 97.87 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 121.499 -0.751 . . . . 0.0 109.354 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -62.03 -38.19 87.77 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.68 -25.8 59.41 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.825 -0.547 . . . . 0.0 110.457 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -66.98 -48.21 69.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.91 -43.23 91.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.422 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.25 -43.27 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HE ' ' HG3' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.36 -15.07 62.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.979 -0.45 . . . . 0.0 111.46 -178.447 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -82.15 -5.18 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.63 147.69 32.79 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.67 106.69 9.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.999 -0.707 . . . . 0.0 110.58 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.48 -56.02 0.66 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.785 1.634 . . . . 0.0 110.817 -176.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -162.83 158.78 23.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.93 0.61 56.97 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 51.89 -110.72 0.52 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.286 0.635 . . . . 0.0 111.641 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 p -58.14 -26.74 63.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -96.57 7.98 45.25 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.962 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -55.18 -46.44 75.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.899 1.227 . . . . 0.0 113.372 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -66.35 -15.14 63.03 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.23 -43.78 6.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.375 -0.203 . . . . 0.0 110.629 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.61 -43.27 12.79 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.31 -17.45 62.46 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.476 1.489 . . . . 0.0 108.817 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -64.58 -33.32 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.9 -28.54 69.6 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -69.33 -45.09 70.31 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -61.73 -34.5 75.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -80.74 -9.21 59.82 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.86 -27.87 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 167.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.71 -36.18 82.87 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.29 -45.76 79.32 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.534 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.69 59.3 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.73 -50.84 72.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -61.98 -35.44 78.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.086 -0.384 . . . . 0.0 111.65 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -62.65 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.22 94.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.52 -46.04 87.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.592 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.16 -38.55 88.36 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.08 -44.34 92.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.01 -23.14 62.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.192 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.59 -46.6 75.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -32.05 72.74 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.581 0.229 . . . . 0.0 110.77 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.16 -19.92 60.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.784 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -110.21 8.61 23.72 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.6 m -69.14 13.31 0.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 30.9 p90 56.35 153.7 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -169.77 -40.87 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.219 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.689 177.096 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 CA-C-O 117.828 -1.54 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p 38.66 68.53 1.85 Allowed Pre-proline 0 N--CA 1.48 1.03 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -69.53 -2.09 9.41 Favored 'Trans proline' 0 C--N 1.349 0.56 0 N-CA-C 113.281 0.454 . . . . 0.0 113.281 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -58.54 -34.28 70.83 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 122.945 0.498 . . . . 0.0 110.708 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -64.87 -35.68 81.91 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.209 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -74.2 -36.33 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -62.59 -37.11 84.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.53 -20.08 30.19 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.024 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -76.6 -35.63 58.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.63 1.104 . . . . 0.0 108.041 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -55.74 -54.74 40.64 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.65 -31.18 59.71 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.093 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -61.55 -46.34 90.31 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.9 ttp -62.38 -43.34 99.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.915 -0.491 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -62.47 -46.02 90.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.057 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -66.33 -45.52 79.96 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.6 ttp -57.94 -44.82 87.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.779 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.16 -35.62 78.34 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.205 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -73.47 -41.65 62.9 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.844 -0.535 . . . . 0.0 111.689 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -75.0 -15.06 60.67 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.533 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 20' ' ' LEU . 12.5 mt -81.96 -24.11 35.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.995 -1.065 . . . . 0.0 110.504 171.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 -40.51 91.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 172.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.21 -31.27 76.99 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.696 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.81 -32.96 70.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -72.41 -26.22 61.78 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -68.18 -34.7 76.79 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 119.1 -1.04 . . . . 0.0 108.639 170.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.0 77.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.231 0.923 . . . . 0.0 110.4 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HA ' HD23 ' A' ' 30' ' ' LEU . 27.6 tt0 -65.05 -47.96 75.5 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-O 123.121 1.439 . . . . 0.0 108.154 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.34 -33.27 73.35 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.249 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -69.21 -40.5 77.96 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 119.374 0.988 . . . . 0.0 110.45 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.77 -46.54 89.12 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.055 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -68.86 -36.66 78.38 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 118.918 -1.113 . . . . 0.0 113.424 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -38.09 87.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.7 -51.86 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -43.66 77.59 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 117.684 -1.606 . . . . 0.0 113.746 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.37 -39.21 81.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.244 -0.91 . . . . 0.0 112.327 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' HD13 ' A' ' 107' ' ' LEU . 63.5 mtt180 -75.4 -28.5 59.47 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.915 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.5 -45.43 87.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -57.05 -44.18 82.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.39 -40.35 89.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.589 0.233 . . . . 0.0 111.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.57 91.74 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.8 -59.05 5.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.426 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -48.49 -43.26 34.77 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -174.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -91.21 -46.45 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.95 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -100.99 -35.94 9.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 82.23 -6.14 1.39 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 126.232 1.813 . . . . 0.0 110.628 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 p 65.29 162.14 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.09 -23.02 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -90.17 38.01 0.91 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.682 176.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -51.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -107.97 5.37 26.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.477 0.656 . . . . 0.0 109.821 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -124.04 10.31 8.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.13 -38.58 75.04 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 119.539 -0.267 . . . . 0.0 111.137 -178.339 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.7 m80 45.88 55.13 7.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -31.71 -51.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.48 -45.23 95.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.456 0.571 . . . . 0.0 111.489 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.19 -42.69 83.77 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.12 96.11 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.51 -44.83 93.16 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.67 -41.97 87.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.503 -0.748 . . . . 0.0 110.799 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.96 -42.92 62.89 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.63 -43.28 73.0 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.275 1.036 . . . . 0.0 110.006 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.98 -28.5 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.7 -33.8 74.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.699 -1.251 . . . . 0.0 110.289 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.49 -41.71 88.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.33 78.39 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.065 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -66.41 -35.52 80.53 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.11 -53.73 51.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.3 -50.14 59.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.53 75.62 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -64.51 -40.33 95.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HE ' ' CD ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -64.5 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -36.54 81.08 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 76' ' ' ARG . 46.9 mtpt -59.22 -52.42 65.78 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.138 0.881 . . . . 0.0 109.303 174.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.05 -32.64 73.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.446 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.04 -42.95 72.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 51.9 mtp180 -61.13 -32.99 72.68 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 122.061 -0.399 . . . . 0.0 110.622 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.84 6.29 6.38 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.819 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.53 -179.56 43.62 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -162.75 -170.35 2.35 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.2 146.31 23.79 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.24 7.15 6.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.208 1.003 . . . . 0.0 112.555 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 50.62 35.12 10.9 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.494 1.518 . . . . 0.0 113.854 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 66.76 87.89 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.054 0.93 . . . . 0.0 110.337 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m 51.24 33.45 9.69 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.763 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.96 33.6 22.03 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.765 0.826 . . . . 0.0 111.826 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -82.47 98.33 8.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -50.74 -21.28 1.55 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -52.43 -30.55 30.0 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -57.33 10.83 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.53 -0.731 . . . . 0.0 111.975 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -73.67 -16.83 61.2 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.87 -1.144 . . . . 0.0 109.841 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.93 -28.06 68.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.469 ' CD ' ' HE ' ' A' ' 71' ' ' ARG . 17.7 mm-40 -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.71 -36.67 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.03 -36.09 83.27 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.968 0.889 . . . . 0.0 109.047 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -77.12 -23.65 51.76 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.416 -0.803 . . . . 0.0 111.549 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -67.83 -44.2 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.88 -41.3 82.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.217 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -75.09 -31.45 61.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.587 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.29 82.33 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.82 -43.22 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.662 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.4 ttt85 -61.88 -37.12 83.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.151 -0.343 . . . . 0.0 111.375 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -66.67 -38.02 85.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.09 84.35 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 109.815 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -57.84 -42.82 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.675 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -73.64 -29.34 62.29 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -66.43 -45.02 81.25 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 36' ' ' ARG . 77.4 mt -64.77 -37.18 86.72 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.966 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.83 -48.0 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.8 p -64.43 -29.15 70.21 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -77.31 -20.76 54.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.888 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -98.94 -12.16 20.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.8 m -73.55 -3.88 30.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -147.19 147.66 30.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -144.58 167.18 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.346 0.404 . . . . 0.0 110.712 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.589 179.458 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 CA-C-O 118.792 -1.005 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -65.47 151.83 93.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 118.15 0.975 . . . . 0.0 109.272 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -62.41 156.9 48.81 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 117.899 -0.934 . . . . 0.0 112.471 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.59 -31.33 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.217 0.532 . . . . 0.0 110.944 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -62.16 -31.54 72.05 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.077 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -85.67 -37.22 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -57.48 -40.81 79.38 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.224 0.535 . . . . 0.0 111.304 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -104.53 9.41 35.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 p -56.3 -41.74 76.46 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -43.76 97.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -176.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.97 -33.55 21.09 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -61.43 -44.17 97.59 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.55 -44.2 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.98 -47.31 85.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.606 0.241 . . . . 0.0 110.684 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -68.2 -44.27 76.19 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 ttp -54.96 -45.31 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.165 0.439 . . . . 0.0 110.274 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.73 -52.23 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.604 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.39 -36.7 79.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.64 -31.78 67.22 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.02 -24.16 43.86 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.132 -0.98 . . . . 0.0 111.225 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.23 -39.05 96.72 Favored Glycine 0 C--O 1.224 -0.515 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.48 -40.2 95.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -70.83 -25.15 62.72 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.414 -0.804 . . . . 0.0 110.754 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -73.99 -23.43 59.45 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.385 -0.822 . . . . 0.0 110.009 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.99 64.01 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.77 -42.75 97.72 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-O 122.828 1.299 . . . . 0.0 108.518 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.98 -43.4 98.91 Favored 'General case' 0 C--O 1.179 -2.656 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.388 173.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -58.85 -41.41 86.89 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 120.122 1.328 . . . . 0.0 112.158 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -48.5 65.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.151 0.887 . . . . 0.0 108.774 176.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -72.55 -26.31 61.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 117.418 -1.713 . . . . 0.0 114.801 -177.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.14 -35.58 71.76 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 61' ' ' GLU . 5.0 mt -61.95 -42.8 99.53 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -62.08 -47.52 84.31 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.77 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -44.38 96.85 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.453 0.644 . . . . 0.0 111.208 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.06 -35.72 80.47 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.384 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.16 -46.79 79.44 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -56.43 -47.41 79.13 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.841 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -66.43 -42.81 87.14 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 -34.98 69.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.37 -62.8 1.57 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.772 168.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -51.1 -52.05 47.44 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -167.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -96.03 -34.37 11.78 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.175 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -16.74 20.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 118.105 2.631 . . . . 0.0 118.105 -169.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.21 44.05 2.12 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.867 1.267 . . . . 0.0 114.045 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -102.01 -134.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 173.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 110' ' ' HIS . 10.2 m 42.1 44.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.248 1.019 . . . . 0.0 111.838 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 51.17 61.75 3.08 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.654 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.39 140.82 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 71.05 -41.03 0.49 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.567 1.947 . . . . 0.0 112.446 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -100.73 26.63 6.63 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -55.06 -40.29 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.864 0.866 . . . . 0.0 111.812 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.4 m80 47.72 51.65 13.76 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -29.91 30.6 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.13 -44.07 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.93 0.786 . . . . 0.0 111.114 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.79 -45.34 71.55 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -60.43 -46.79 88.76 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.231 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.92 -46.72 87.26 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -53.99 -49.24 69.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.19 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -76.76 -41.08 46.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -175.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 33' ' ' LEU . 16.9 pt-20 -70.73 -44.86 65.96 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 110.274 -178.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.19 -35.14 67.37 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.97 -48.01 82.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.309 0.959 . . . . 0.0 110.293 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.31 -45.34 93.75 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-O 121.239 0.542 . . . . 0.0 110.274 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.37 73.82 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -73.72 -29.82 62.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.495 -0.753 . . . . 0.0 110.699 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.9 -46.62 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -58.85 -42.82 90.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.163 -1.415 . . . . 0.0 113.904 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -40.74 71.64 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.953 -1.092 . . . . 0.0 112.254 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.9 -41.77 97.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.137 -0.352 . . . . 0.0 110.658 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -60.94 -43.97 97.93 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.55 -35.84 82.02 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.803 -0.561 . . . . 0.0 110.183 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.5 -50.58 69.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.268 -0.27 . . . . 0.0 111.113 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.63 -30.83 66.2 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.41 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.09 -44.61 91.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -33.63 73.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.228 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.16 3.42 17.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.018 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.24 177.51 53.43 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 122.849 1.249 . . . . 0.0 115.5 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 p -113.74 170.68 8.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.562 -0.819 . . . . 0.0 110.932 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.15 77.04 0.96 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -165.06 167.63 18.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -118.19 2.28 11.98 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.042 0.925 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -148.33 -52.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -60.06 99.55 0.07 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.476 0.31 . . . . 0.0 110.574 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 59.32 16.33 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.607 1.163 . . . . 0.0 111.06 -172.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -127.52 48.5 2.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.009 0.909 . . . . 0.0 109.116 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 13.9 ttpt -57.03 139.63 51.64 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.415 ' CD1' ' HE3' ' A' ' 87' ' ' LYS 0.263 0.0 OUTLIER 47.53 35.1 3.94 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 119.463 3.134 . . . . 0.0 119.463 -179.599 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.47 -61.44 2.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -80.36 -16.98 53.26 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.763 -1.836 . . . . 0.0 108.758 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.34 -28.42 69.28 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 170.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.52 -32.41 73.75 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.26 -32.74 70.71 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.86 -33.46 75.65 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.36 -27.79 63.6 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.493 -0.754 . . . . 0.0 110.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.16 -42.0 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 -61.83 -36.92 82.58 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.83 -40.78 83.73 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.343 0.52 . . . . 0.0 111.787 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.44 -47.26 79.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.72 -45.32 87.06 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.814 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -61.17 -39.8 91.49 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -62.17 -49.01 77.53 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.18 71.44 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -67.19 -36.44 81.76 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.824 -176.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -74.5 -31.91 62.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 118.107 0.412 . . . . 0.0 110.266 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.01 -51.01 63.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -38.61 87.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.958 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.15 -47.47 83.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' HB3' HG12 ' A' ' 47' ' ' VAL . 91.7 m-70 -78.29 -20.6 51.22 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.986 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -96.11 -3.89 43.78 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 122.045 -0.409 . . . . 0.0 110.519 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m -71.97 10.1 0.79 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 65.12 29.97 11.75 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -84.02 39.33 0.7 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.337 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.746 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.729 -178.786 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 CA-C-O 118.116 -1.38 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t 48.47 74.82 0.74 Allowed Pre-proline 0 N--CA 1.479 1.001 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.72 -34.7 98.55 Favored 'Trans proline' 0 C--N 1.347 0.498 0 N-CA-C 114.628 0.972 . . . . 0.0 114.628 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.21 -36.73 82.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.44 -39.57 91.3 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.32 -38.72 74.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -58.88 -42.83 90.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -97.37 3.93 50.89 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.4 p -55.83 -33.79 64.8 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 6.2 pttp -53.02 -59.26 4.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.36 0.6 . . . . 0.0 112.355 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -76.38 -33.98 58.89 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 -176.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.64 -50.61 72.58 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -63.65 -50.25 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -58.74 -46.01 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.375 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.38 -45.64 68.82 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.402 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.9 mmt -64.5 -37.56 87.97 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttm -58.48 -53.57 56.87 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -64.65 -43.0 95.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.701 -0.625 . . . . 0.0 111.21 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -19.34 33.16 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.586 -0.696 . . . . 0.0 110.571 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.38 -38.94 91.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 169.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.0 84.44 Favored Glycine 0 C--O 1.22 -0.769 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.123 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.89 -44.38 85.47 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.919 0.866 . . . . 0.0 108.965 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.86 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.53 -20.61 65.77 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.027 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.2 -44.87 35.85 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.26 0.936 . . . . 0.0 110.745 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.96 -41.98 85.98 Favored 'General case' 0 C--O 1.295 3.464 0 CA-C-O 123.991 1.853 . . . . 0.0 108.759 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -58.93 -39.07 80.5 Favored 'General case' 0 C--O 1.18 -2.594 0 CA-C-N 112.968 -1.924 . . . . 0.0 107.184 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -65.28 -30.29 71.15 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 120.234 1.379 . . . . 0.0 112.087 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.83 -58.21 9.42 Favored 'General case' 0 C--O 1.26 1.658 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -71.87 -33.46 68.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 117.184 -1.806 . . . . 0.0 115.51 -172.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -65.63 -37.03 85.41 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.73 -52.9 54.6 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.716 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.87 89.74 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 116.689 -2.004 . . . . 0.0 110.753 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -50.72 72.55 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.136 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.61 -35.06 79.79 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 118.186 0.448 . . . . 0.0 111.376 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.36 -45.4 93.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -65.69 -32.62 74.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.335 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.22 -43.15 78.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.058 0.844 . . . . 0.0 109.247 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.85 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.35 -63.7 1.01 Allowed 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.621 -1.232 . . . . 0.0 108.822 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -52.21 -37.52 55.26 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -172.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.97 -46.39 6.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -97.13 -35.58 10.74 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 -169.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 39.55 51.3 2.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.9 m -51.44 150.39 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.56 -25.19 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.76 23.83 0.64 Allowed 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 112.236 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.08 -28.78 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.319 0.647 . . . . 0.0 112.662 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.86 -21.15 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.424 0.63 . . . . 0.0 111.256 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -116.45 -11.2 11.17 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.761 0.824 . . . . 0.0 111.843 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.0 t -56.93 -39.66 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.105 0.253 . . . . 0.0 111.623 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -143.8 -119.06 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.662 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.609 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 52.4 mt 65.48 169.58 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.936 1.294 . . . . 0.0 109.455 -176.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -52.5 -37.37 57.22 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.841 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -62.0 -56.15 22.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -76.25 -32.18 58.73 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.342 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.01 -45.96 91.29 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.368 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -65.05 -40.5 94.85 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.738 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.77 -48.7 80.61 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.436 0.562 . . . . 0.0 112.403 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.49 -48.33 72.96 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.406 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.0 pt -66.59 -28.21 42.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 118.607 -1.237 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 88.6 m-20 -69.01 -40.54 78.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.142 0.883 . . . . 0.0 110.243 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.69 -47.4 72.52 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.605 0.717 . . . . 0.0 109.642 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.67 91.77 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.118 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 46.9 mtmt -66.1 -28.81 69.1 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.834 -0.541 . . . . 0.0 111.349 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.65 -48.49 66.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 99' ' ' ALA . 32.8 mm-40 -72.76 -20.16 61.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 116.894 -1.922 . . . . 0.0 111.811 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.622 -1.298 . . . . 0.0 109.267 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.76 -35.53 80.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -67.11 -35.55 80.0 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.229 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -38.23 89.75 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.143 -0.973 . . . . 0.0 109.635 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.18 -40.07 90.2 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.648 -0.657 . . . . 0.0 110.17 176.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.65 -33.62 76.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.498 -0.751 . . . . 0.0 110.045 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -58.8 -38.61 78.98 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.117 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -97.79 15.38 23.88 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.238 0.542 . . . . 0.0 110.324 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.73 -88.43 1.36 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 121.305 3.282 . . . . 0.0 121.305 -172.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 t -160.95 164.95 30.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.015 -0.697 . . . . 0.0 112.35 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.45 -37.0 81.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.199 0.6 . . . . 0.0 110.224 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -170.25 167.57 8.49 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -77.51 61.89 2.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.5 mtp-105 -131.83 173.83 10.77 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 170.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.1 t 57.65 -102.16 0.14 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.239 0.616 . . . . 0.0 110.004 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -70.69 -23.98 62.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.33 0.514 . . . . 0.0 111.405 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 63.02 -62.51 0.12 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp 51.02 37.35 17.57 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.089 0.956 . . . . 0.0 112.271 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 p90 41.61 38.41 0.9 Allowed 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -57.97 6.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.85 -1.156 . . . . 0.0 108.646 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -42.6 95.81 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 95' ' ' GLN . 14.1 pt-20 -75.92 -22.3 56.18 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.586 -1.246 . . . . 0.0 110.274 -175.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.75 -41.15 96.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.53 -27.92 66.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -71.74 -32.2 67.48 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.867 -0.521 . . . . 0.0 110.338 174.824 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.1 -35.45 58.86 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 CA-C-O 122.422 1.106 . . . . 0.0 108.699 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.73 -31.88 72.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -74.94 -33.85 62.02 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.998 -0.438 . . . . 0.0 110.159 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . . . -55.71 -50.39 70.45 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.1 -45.91 89.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -59.02 -40.04 83.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -64.43 -46.11 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -47.98 83.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.8 -37.98 89.4 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.951 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.31 -34.59 72.9 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.398 -0.814 . . . . 0.0 111.948 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.52 -39.8 89.14 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.819 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -54.93 -52.51 62.74 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -35.63 76.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.07 -20.53 52.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.021 -0.424 . . . . 0.0 111.106 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -103.22 -1.4 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.34 0.656 . . . . 0.0 112.722 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.0 m -58.37 -18.39 27.47 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.6 t90 66.76 -34.1 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 174.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -55.08 143.38 27.17 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 179.405 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 CA-C-O 118.82 -0.989 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -66.97 144.48 98.54 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 118.28 1.04 . . . . 0.0 109.628 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.71 -4.02 13.15 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 118.356 0.449 . . . . 0.0 112.676 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.84 -26.85 68.8 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.88 -41.61 96.32 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.85 -37.31 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.02 -19.07 62.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.28 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -105.81 -20.13 13.54 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.828 0.823 . . . . 0.0 113.1 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -71.24 -37.39 71.98 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -171.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -59.04 5.02 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -85.33 -25.13 27.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.037 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.23 -48.1 81.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 118.26 -1.376 . . . . 0.0 108.613 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.9 mmt -71.58 -34.82 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.679 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -62.04 -45.18 94.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.356 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.95 -45.1 87.17 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -54.62 -47.15 73.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.24 -41.87 93.92 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.85 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -63.41 -40.57 97.55 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.939 0.399 . . . . 0.0 110.116 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.52 -38.28 84.04 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.343 -0.223 . . . . 0.0 110.539 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD23 ' HG3' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -78.61 -27.28 45.47 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.792 -0.763 . . . . 0.0 112.399 179.287 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.12 -41.37 97.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.16 -37.1 92.7 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.21 -44.65 94.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.598 0.699 . . . . 0.0 109.441 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.95 -33.06 71.62 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.565 -0.709 . . . . 0.0 109.984 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -62.56 -34.6 77.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.514 -0.741 . . . . 0.0 109.215 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.73 72.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.898 -0.501 . . . . 0.0 109.733 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.07 -43.11 93.27 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 123.523 1.63 . . . . 0.0 109.032 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -63.29 -30.63 71.74 Favored 'General case' 0 C--O 1.194 -1.857 0 CA-C-N 114.045 -1.434 . . . . 0.0 108.744 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.7 p -69.04 -33.52 73.74 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 119.78 1.173 . . . . 0.0 110.638 175.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.691 HD22 ' HB ' ' A' ' 62' ' ' ILE . 11.2 mt -59.69 -51.99 67.42 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 173.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -73.36 -26.74 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.27 -40.8 90.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HA ' HD11 ' A' ' 107' ' ' LEU . 4.8 mt -61.86 -48.92 78.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.23 -59.38 4.74 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.593 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.88 -46.33 88.34 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -72.53 -22.16 61.07 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 121.49 -0.756 . . . . 0.0 112.08 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.62 -44.32 28.67 Favored 'General case' 0 C--O 1.27 2.178 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -56.65 -43.92 80.81 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 114.639 -1.164 . . . . 0.0 107.9 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.41 -31.81 65.83 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.06 85.17 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.02 -63.92 1.31 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 114.762 -2.775 . . . . 0.0 111.416 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.48 -39.78 80.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -167.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -95.64 -43.08 8.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -96.75 -12.66 23.43 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -166.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 44.88 32.89 0.89 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 170.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -66.56 170.16 6.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 m -62.74 -8.0 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -20.8 62.14 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.538 0.335 . . . . 0.0 111.451 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.3 130.47 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.693 0.282 . . . . 0.0 111.333 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 68.8 -46.4 0.55 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.955 1.702 . . . . 0.0 112.964 -174.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -64.26 -15.39 60.02 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.751 0.82 . . . . 0.0 112.082 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -27.16 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.921 174.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.7 t60 54.56 52.15 12.79 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -175.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.7 tp -32.11 -51.88 0.25 Allowed 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -170.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.98 -47.66 83.82 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.352 0.978 . . . . 0.0 111.113 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -66.76 -39.36 87.85 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.5 -47.32 84.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.89 -48.53 81.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -53.23 -46.22 69.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.07 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -74.94 -44.43 48.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -63.24 -47.9 80.52 Favored 'General case' 0 C--O 1.274 2.383 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.691 ' HB ' HD22 ' A' ' 30' ' ' LEU . 3.9 pt -70.92 -22.01 22.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.466 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.486 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.34 -37.46 80.52 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.869 1.213 . . . . 0.0 109.609 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.42 -45.8 58.0 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 121.458 0.646 . . . . 0.0 109.75 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.55 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.54 -36.62 81.1 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 117.863 -1.535 . . . . 0.0 109.832 177.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -64.66 -31.73 73.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.145 0.578 . . . . 0.0 109.83 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.69 -53.58 49.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' HG2' ' HB2' ' A' ' 99' ' ' ALA . 4.1 mp0 -67.96 -27.41 66.57 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 116.796 -1.962 . . . . 0.0 113.176 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.07 76.49 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.761 -1.212 . . . . 0.0 111.154 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.43 -37.3 86.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.87 -36.35 84.06 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.45 -36.98 84.11 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.764 -0.585 . . . . 0.0 109.836 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.63 -47.31 84.31 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.492 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.96 -39.27 88.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.906 0.384 . . . . 0.0 111.274 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.99 -44.09 90.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HG3' HD23 ' A' ' 20' ' ' LEU . 2.0 tmt_? -62.21 -37.97 87.37 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.056 0.455 . . . . 0.0 110.209 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.25 13.76 4.02 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.436 0.636 . . . . 0.0 110.414 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.48 -128.4 2.02 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.396 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -139.72 167.78 21.32 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.1 -0.647 . . . . 0.0 112.059 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.78 130.52 44.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 p30 57.17 175.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.21 61.41 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.971 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.52 177.86 0.83 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.169 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -96.13 -0.77 49.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -140.26 31.01 1.95 Allowed 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 122.734 0.414 . . . . 0.0 110.954 -175.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -66.83 -8.87 31.87 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -118.75 14.44 13.43 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 123.864 0.866 . . . . 0.0 109.402 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.56 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -78.37 -20.12 51.93 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 121.109 -0.995 . . . . 0.0 108.571 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.6 -36.0 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 169.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.2 -25.71 63.55 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.626 -0.671 . . . . 0.0 109.991 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.72 -37.74 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.54 -36.04 81.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -30.86 71.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.676 -0.64 . . . . 0.0 111.533 175.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.32 -35.13 45.62 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -38.06 77.73 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 173.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.75 -25.09 53.08 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 68' ' ' GLU . . . -58.99 -48.93 79.79 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 170.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.34 -41.92 88.86 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.872 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.66 75.33 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.715 -0.616 . . . . 0.0 110.714 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -46.42 89.67 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.97 -51.68 68.24 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.952 0.882 . . . . 0.0 110.229 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.77 -39.55 81.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.325 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.95 -40.02 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.98 -38.16 79.18 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 33' ' ' LEU . 64.4 mt -63.71 -35.46 80.64 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 112.114 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.36 -48.45 81.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.7 p -62.95 -32.91 74.33 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.006 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -78.05 -19.63 53.93 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.787 -0.571 . . . . 0.0 109.997 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p -97.05 -18.61 19.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.255 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.9 m -90.51 -17.49 26.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -78.48 78.48 4.94 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 58.07 72.86 0.5 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 171.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.458 174.139 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 CA-C-O 118.637 -1.091 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -65.29 147.1 98.81 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 118.171 0.986 . . . . 0.0 110.402 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.79 170.47 19.53 Favored 'Trans proline' 0 C--O 1.24 0.625 0 O-C-N 122.113 0.533 . . . . 0.0 112.808 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -34.88 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.862 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -57.84 -41.13 81.69 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.251 -0.281 . . . . 0.0 110.552 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -77.64 -35.4 52.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.299 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -57.96 -40.66 81.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.75 10.63 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.017 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -45.77 -38.98 7.64 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -172.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 5.8 pttp -47.27 -78.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.272 1.034 . . . . 0.0 113.559 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 28.7 tp10 -77.53 -26.4 51.03 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.366 -174.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -66.66 -47.15 73.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.975 -0.453 . . . . 0.0 111.141 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -70.62 -38.28 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -44.64 80.31 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -56.7 16.67 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.712 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -58.53 -35.03 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.72 -50.92 65.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.5 -41.17 84.76 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -64.82 -48.74 73.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.372 0.606 . . . . 0.0 112.169 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.33 -26.03 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -72.8 -25.75 61.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.7 -40.72 85.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 172.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.1 -38.96 88.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -64.2 -37.43 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.645 -0.659 . . . . 0.0 110.051 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.19 -37.13 84.12 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.44 94.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.561 1.073 . . . . 0.0 111.911 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.62 -44.68 81.39 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 123.966 1.841 . . . . 0.0 109.298 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -61.36 -33.08 73.05 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.116 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -68.63 -42.45 78.03 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.581 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -48.43 76.0 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.31 -39.68 89.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.223 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -68.45 -27.53 66.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.6 -51.47 59.41 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -41.41 92.5 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 117.0 -1.88 . . . . 0.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.66 -50.97 70.5 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.658 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.2 -22.13 60.52 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.6 -43.22 56.59 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -59.87 -43.45 94.71 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -59.58 -48.86 79.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.867 0.303 . . . . 0.0 110.56 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.25 83.49 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.34 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 115.227 -2.589 . . . . 0.0 110.219 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -58.69 -39.39 80.6 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -167.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -96.04 -40.81 9.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.092 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -96.84 -9.82 27.87 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 39.55 48.75 1.87 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.5 t -50.74 155.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.719 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.57 -21.26 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.61 0.764 . . . . 0.0 113.015 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -93.15 25.12 3.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.1 137.16 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 69.6 -43.31 0.52 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.215 1.406 . . . . 0.0 112.701 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.94 -32.81 71.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.091 0.556 . . . . 0.0 110.062 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.45 -13.62 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 p80 27.84 87.71 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -177.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -39.07 -41.77 0.84 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -175.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.7 -52.43 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.126 0.875 . . . . 0.0 111.765 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.21 -39.62 78.49 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -50.26 74.73 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.855 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.6 -44.91 95.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -56.71 -46.19 81.4 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.268 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -78.56 -33.17 47.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.97 -42.54 60.33 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.537 -0.727 . . . . 0.0 109.867 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.45 -35.92 74.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -63.88 -40.43 96.52 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.909 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.51 -46.76 86.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.58 -31.51 72.59 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.24 0.543 . . . . 0.0 110.96 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -64.52 -35.36 80.72 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.511 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -69.32 -45.63 69.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.71 -49.89 67.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 120.912 0.387 . . . . 0.0 111.431 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.79 86.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -62.92 -42.46 99.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -62.24 -32.37 73.04 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.175 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.57 -23.18 56.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -72.78 -46.73 51.74 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.128 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.71 -43.37 76.46 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.643 1.211 . . . . 0.0 108.209 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.1 tp -64.43 -46.7 82.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.306 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -22.04 65.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.0 9.76 29.37 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.811 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.05 -172.69 40.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 106.691 -2.563 . . . . 0.0 106.691 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -129.1 -166.9 1.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.43 2.28 0.64 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -155.63 165.86 35.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.27 39.54 3.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.514 1.15 . . . . 0.0 110.661 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -80.62 -162.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t 50.5 41.05 24.74 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.064 0.459 . . . . 0.0 111.531 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 63.78 10.66 5.3 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -81.91 13.75 3.13 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.102 0.864 . . . . 0.0 111.312 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -6.14 1.28 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -174.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -77.23 -13.74 59.89 Favored 'General case' 0 C--O 1.208 -1.085 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.777 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.04 -56.75 8.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.73 -18.64 60.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.073 -1.017 . . . . 0.0 109.067 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.7 -40.67 88.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.66 -21.35 62.61 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.78 -35.73 70.11 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.81 -36.84 75.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 120.978 -1.076 . . . . 0.0 108.23 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.58 -24.34 62.75 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.893 -0.504 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.07 -40.86 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 172.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 tpt85 -62.51 -33.14 74.29 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.984 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -71.6 -39.02 70.78 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 119.152 0.887 . . . . 0.0 111.161 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.25 72.93 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -42.2 99.7 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.735 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -64.53 -35.32 80.59 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 7.3 tmtt? -64.54 -48.88 73.43 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.36 95.45 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.282 0.563 . . . . 0.0 110.998 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.38 -53.84 53.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.529 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 102' ' ' LYS . 16.3 pttt -71.19 -23.06 61.96 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.246 0.546 . . . . 0.0 112.245 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -70.67 -44.94 66.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.38 -32.86 74.51 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.364 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.27 -47.21 86.96 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -62.85 -30.71 71.71 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -78.2 -20.8 51.16 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.98 -0.45 . . . . 0.0 110.328 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -105.4 4.39 30.71 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.734 0.302 . . . . 0.0 111.274 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.7 m -66.58 -4.06 7.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 62.49 -92.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.191 0.996 . . . . 0.0 113.301 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.3 t80 55.84 27.08 10.4 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.891 179.419 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 CA-C-O 118.339 -1.256 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -62.99 141.13 97.68 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -66.83 142.49 63.25 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 116.785 -1.677 . . . . 0.0 114.191 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.3 pm0 -63.98 -32.76 74.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.447 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -62.92 -36.4 83.26 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.731 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -80.52 -39.41 27.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.6 -40.66 83.86 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.663 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -103.93 17.75 23.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.109 -177.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -54.36 -34.08 60.4 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -59.21 -55.56 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.63 -34.88 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.846 -0.534 . . . . 0.0 110.996 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.06 -42.03 90.02 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.171 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 ttm -67.88 -39.3 83.69 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.53 -0.731 . . . . 0.0 109.849 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -55.5 -48.95 73.8 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -61.45 -54.2 46.56 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.536 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 74.4 mtm -53.42 -55.28 26.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.033 -0.417 . . . . 0.0 111.813 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mmt -61.16 -48.21 82.62 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -81.79 -34.4 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -88.25 -19.26 27.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.518 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 20' ' ' LEU . 86.7 mt -81.78 -23.78 36.38 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 118.907 -1.117 . . . . 0.0 108.337 171.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.19 -42.22 93.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.229 -2.137 . . . . 0.0 105.229 170.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.08 -37.75 95.45 Favored Glycine 0 C--O 1.215 -1.079 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.515 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.54 -39.68 94.22 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.188 0.994 . . . . 0.0 109.576 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.78 -29.98 70.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -22.88 60.83 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.811 -0.556 . . . . 0.0 110.822 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.33 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.485 1.039 . . . . 0.0 108.482 173.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.25 -43.71 98.22 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -59.42 -35.52 74.15 Favored 'General case' 0 C--O 1.176 -2.791 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.486 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -63.65 -41.54 98.21 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.668 1.576 . . . . 0.0 111.818 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -44.92 95.55 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.11 -35.18 76.17 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.865 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -66.36 -39.42 89.15 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 61' ' ' GLU . 3.7 mt -60.4 -57.86 10.98 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.09 90.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 117.206 -1.798 . . . . 0.0 114.018 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -67.06 -43.91 81.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.365 -0.835 . . . . 0.0 111.715 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -70.89 -26.89 63.43 Favored 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.328 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -70.26 -46.02 65.22 Favored 'General case' 0 C--O 1.256 1.401 0 CA-C-O 122.303 1.049 . . . . 0.0 110.03 173.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.77 -36.56 81.4 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.872 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -76.2 -25.57 55.29 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.842 0.353 . . . . 0.0 110.672 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.89 66.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -78.28 -63.64 1.35 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 116.239 -2.184 . . . . 0.0 108.636 168.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.32 -51.24 19.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -170.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.02 -40.73 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.15 0.5 . . . . 0.0 111.133 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -96.96 -12.02 23.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -166.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.6 48.73 3.59 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 m -45.72 137.25 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.263 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 p -55.19 -25.91 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.49 32.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.385 -0.822 . . . . 0.0 111.654 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -53.77 -33.98 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -76.68 -11.24 59.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.342 0.591 . . . . 0.0 112.318 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -144.61 35.83 1.17 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.139 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -60.95 -33.11 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.432 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -153.45 -55.29 0.11 Allowed 'General case' 0 C--O 1.237 0.407 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.7 mt 60.31 -178.36 0.1 Allowed 'General case' 0 C--O 1.25 1.079 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -170.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 28.3 mp0 -62.33 -36.52 82.46 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.715 -0.616 . . . . 0.0 109.508 -176.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.24 -56.28 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.072 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -79.19 -23.71 43.67 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.029 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.69 -46.87 87.84 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -63.41 -35.56 80.83 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.659 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.29 -46.91 75.33 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 33' ' ' LEU . 16.4 pt-20 -63.65 -48.79 75.8 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.8 mt -63.86 -31.69 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.759 -0.588 . . . . 0.0 110.898 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -68.74 -32.39 72.12 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.712 -1.242 . . . . 0.0 110.25 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.26 -40.27 67.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.01 80.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.966 0.889 . . . . 0.0 109.603 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -65.58 -34.95 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.287 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.4 -51.14 55.49 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -49.12 -47.86 45.06 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.92 99.62 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.34 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -65.81 -33.19 75.28 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.162 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 96' ' ' VAL . 5.0 mt -70.99 -28.78 64.69 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -72.2 -43.31 64.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.93 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.64 -36.81 84.76 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.33 -49.28 72.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -16.61 64.08 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -41.14 96.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.44 179.5 27.27 Favored Glycine 0 C--O 1.228 -0.258 0 N-CA-C 119.504 2.561 . . . . 0.0 119.504 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -161.31 165.07 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.25 -0.83 20.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -154.24 131.63 11.24 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.162 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' CD ' ' HA ' ' A' ' 87' ' ' LYS . 1.5 mm-40 -100.29 3.46 43.45 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.06 175.39 4.52 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.474 -0.766 . . . . 0.0 110.093 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t 52.5 39.86 28.63 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 62.44 15.94 8.22 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.396 1.078 . . . . 0.0 113.787 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -75.94 1.12 16.08 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HA ' ' CD ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -61.47 -6.94 2.65 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.146 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.87 -29.32 27.53 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.269 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.26 -56.68 11.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 118.351 -1.34 . . . . 0.0 110.486 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.56 -17.49 61.71 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.184 -0.947 . . . . 0.0 110.772 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -61.78 -36.51 81.27 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.28 -29.31 70.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.415 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.04 -39.19 83.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.49 -39.63 88.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.661 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -72.38 -24.81 61.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.787 -0.571 . . . . 0.0 111.334 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' HG ' ' A' ' 72' ' ' LEU . 3.3 t -68.2 -42.08 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.51 -41.67 85.96 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.53 -33.32 71.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.36 75.7 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.96 -37.32 86.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.39 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.28 -38.34 88.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.38 -46.56 82.83 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.75 87.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.056 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.36 -45.38 94.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 0.0 111.272 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.33 -31.88 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.351 0.596 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.28 -41.68 80.68 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.7 -34.58 78.54 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 121.715 -0.615 . . . . 0.0 110.887 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.04 -47.28 83.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -62.9 -32.3 73.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.998 -0.439 . . . . 0.0 110.939 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -78.13 1.79 20.09 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -130.83 2.67 4.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -68.18 -25.45 65.25 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -146.36 137.27 24.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.464 0.575 . . . . 0.0 110.415 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -152.2 170.13 20.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.728 -173.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.961 177.516 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 118.624 -1.098 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -64.9 148.53 97.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 118.233 1.016 . . . . 0.0 109.935 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.93 165.19 33.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 117.507 -1.195 . . . . 0.0 110.73 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.12 -40.05 60.74 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -56.03 -48.3 76.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.006 0.431 . . . . 0.0 111.326 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -76.07 -34.04 59.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.951 -0.468 . . . . 0.0 110.349 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -57.73 -39.54 77.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.828 0.451 . . . . 0.0 111.232 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 2.45 36.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -55.91 -33.37 64.59 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 9.7 pttp -54.16 -72.25 0.06 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 31.6 mm-40 -77.19 -25.55 51.9 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.672 -0.643 . . . . 0.0 109.804 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -64.98 -42.92 94.14 Favored 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.408 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 tpt -67.66 -42.64 81.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.652 0.66 . . . . 0.0 109.745 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -55.71 -52.87 62.4 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.562 0.696 . . . . 0.0 110.258 178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -66.15 -47.89 72.56 Favored 'General case' 0 C--O 1.182 -2.497 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.4 ttp -53.5 -42.26 67.13 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.2 1.364 . . . . 0.0 111.953 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.8 ttm -60.09 -54.42 46.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -70.07 -32.39 70.45 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -73.4 -34.25 65.4 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 20' ' ' LEU . 61.2 mt -84.05 -22.81 31.13 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 119.171 -1.012 . . . . 0.0 110.378 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.4 -48.2 82.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 167.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.29 98.15 Favored Glycine 0 C--O 1.213 -1.196 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.102 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.0 -39.49 89.93 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.325 1.062 . . . . 0.0 108.489 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -76.29 -20.82 56.95 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.297 -0.877 . . . . 0.0 112.198 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -75.35 -26.19 58.37 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.29 62.15 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HA ' HD13 ' A' ' 30' ' ' LEU . 20.7 tt0 -63.54 -43.3 97.5 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 123.488 1.613 . . . . 0.0 107.008 173.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.68 -23.63 65.33 Favored 'General case' 0 C--O 1.188 -2.183 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.239 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.8 p -73.31 -33.96 65.46 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 120.912 1.687 . . . . 0.0 108.572 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.2 mp -59.94 -57.41 12.97 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 172.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -67.44 -35.23 78.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.91 -35.81 77.28 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -60.49 -52.36 65.53 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.151 0.887 . . . . 0.0 109.128 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -44.24 79.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 118.011 -1.476 . . . . 0.0 113.357 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -65.34 -43.48 90.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.712 -0.617 . . . . 0.0 111.214 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -70.21 -30.91 68.12 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.603 -0.686 . . . . 0.0 109.899 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.9 -48.5 68.53 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -61.2 -41.0 96.04 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.53 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.7 -38.24 86.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.054 -0.404 . . . . 0.0 110.401 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.71 86.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.62 -60.33 3.47 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 117.56 -1.656 . . . . 0.0 108.786 171.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.96 -50.86 18.28 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.09 -36.42 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -96.9 -36.29 10.62 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 38.48 51.94 1.7 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 p -62.0 170.84 1.96 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.01 -30.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.86 -15.28 54.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.43 -27.24 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.746 0.703 . . . . 0.0 111.227 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -77.06 -26.48 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.881 0.848 . . . . 0.0 109.501 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -122.46 24.53 9.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -35.06 61.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.836 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.8 m80 48.5 54.75 9.99 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -40.42 -41.93 1.5 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.16 -53.2 61.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.912 1.233 . . . . 0.0 110.209 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.13 -37.27 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.934 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.83 -47.98 64.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.256 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.63 -45.71 88.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -56.4 -45.26 80.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.46 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.51 -38.07 30.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.38 -43.51 77.17 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.075 0.94 . . . . 0.0 108.646 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.76 -34.75 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -65.29 -34.95 79.54 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.845 -1.16 . . . . 0.0 110.979 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.7 -48.44 66.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.54 -33.15 74.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.124 0.964 . . . . 0.0 110.343 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -32.02 73.42 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 121.625 -0.672 . . . . 0.0 110.875 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.89 -42.96 66.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -55.05 -53.69 52.64 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.576 0.703 . . . . 0.0 110.184 172.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.08 87.31 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.243 0.544 . . . . 0.0 112.181 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 26.9 tpt180 -65.68 -38.17 88.52 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.56 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.81 -40.19 91.61 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.22 -40.47 96.11 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.938 -0.476 . . . . 0.0 112.07 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -60.33 -43.29 96.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 110.211 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.75 -33.69 66.51 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.459 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -63.58 -26.2 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -98.01 12.82 33.01 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.472 0.654 . . . . 0.0 110.14 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.17 -128.96 2.68 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 116.255 1.262 . . . . 0.0 116.255 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 163.7 32.01 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.705 -0.88 . . . . 0.0 112.587 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.31 -13.02 57.61 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.44 0.638 . . . . 0.0 111.092 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -75.82 105.45 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.45 94.11 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 168.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -140.68 165.44 27.49 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 t -50.6 -32.69 19.52 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -72.25 -2.57 19.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.492 -0.755 . . . . 0.0 112.735 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -138.38 36.47 2.28 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -53.22 -24.22 10.58 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.621 0.725 . . . . 0.0 111.783 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -50.4 -23.31 2.3 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.702 -1.136 . . . . 0.0 113.043 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.19 -60.85 2.03 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.52 -14.19 60.78 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.723 1.147 . . . . 0.0 110.214 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.21 -19.14 42.9 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 169.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.577 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -56.86 -51.87 67.34 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.014 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.52 -35.19 79.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.61 -46.33 86.26 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.717 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.13 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.882 -0.511 . . . . 0.0 110.787 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.8 t -60.92 -45.11 98.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -57.95 -45.59 86.42 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.229 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.24 -31.12 68.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.898 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.55 71.59 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.41 -32.49 73.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.092 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.029 -0.42 . . . . 0.0 110.58 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -42.34 93.41 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.66 95.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.38 0.61 . . . . 0.0 111.465 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -59.15 -44.78 92.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -39.96 95.53 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.747 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.86 -46.25 90.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.18 -41.81 84.69 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 120.557 0.218 . . . . 0.0 111.083 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.36 -50.71 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -34.15 73.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -74.64 -17.38 60.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.5 p -112.53 0.47 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.2 m -68.33 -1.72 6.91 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 66.88 -81.64 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 55.86 23.55 6.6 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.023 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.785 0.326 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.1 2.87 53.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 -37.27 64.51 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -44.51 93.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -74.79 -40.11 61.33 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -57.85 -50.13 74.36 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.379 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.1 ptp -67.44 -36.69 81.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.865 0.757 . . . . 0.0 111.961 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -64.5 -45.51 86.98 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.784 -0.767 . . . . 0.0 110.109 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HZ1' HD22 ' A' ' 75' ' ' LEU . 22.1 mmmt -65.13 -49.8 68.49 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.422 ' HA ' ' HB2' ' A' ' 76' ' ' ARG . 28.0 ttt -55.07 -49.89 70.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 tpt -64.88 -49.22 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.492 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -63.67 -50.72 68.13 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.325 0.583 . . . . 0.0 111.79 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.09 -26.97 59.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.12 -30.73 55.35 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.239 1.381 . . . . 0.0 111.754 175.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.96 -40.46 96.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.31 97.2 Favored Glycine 0 C--O 1.212 -1.248 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.964 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.8 -42.56 97.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.367 1.083 . . . . 0.0 109.784 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -64.28 -38.33 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -68.15 -20.68 64.91 Favored 'General case' 0 C--O 1.209 -1.038 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.724 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.44 -33.66 60.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.973 0.806 . . . . 0.0 109.055 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.65 -44.15 82.66 Favored 'General case' 0 C--O 1.286 2.991 0 CA-C-O 124.089 1.9 . . . . 0.0 107.764 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -57.75 -39.98 78.63 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 112.37 -2.195 . . . . 0.0 107.089 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -65.04 -36.18 83.52 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.168 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.606 HD22 ' HB ' ' A' ' 62' ' ' ILE . 11.5 mt -54.32 -56.12 21.67 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -70.27 -34.39 72.74 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -69.34 -37.4 77.67 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -51.65 67.59 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.07 80.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 116.62 -2.032 . . . . 0.0 112.223 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.83 -39.05 90.46 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.49 -38.43 87.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.037 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.35 -41.64 96.65 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.96 -40.82 81.52 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.299 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.067 0.848 . . . . 0.0 112.755 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.45 71.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -79.53 -62.77 1.59 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.889 170.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -47.64 -44.6 27.05 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.0 -46.47 6.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.39 -30.55 12.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -167.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.3 mmt-85 62.92 61.89 1.09 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.35 0.66 . . . . 0.0 111.034 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.38 140.47 3.07 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.998 0.428 . . . . 0.0 111.477 172.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.94 -13.96 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 19.7 pt-20 -113.45 22.77 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -43.8 -39.37 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.79 -21.91 66.03 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 48' ' ' GLU . 41.8 mtmt -114.54 -22.18 9.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.66 -15.24 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -109.16 -124.38 0.26 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 mt 61.72 168.43 0.11 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.547 1.165 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -55.41 -36.22 66.21 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.151 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.96 -59.08 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -35.56 51.55 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 118.844 -1.142 . . . . 0.0 110.898 -175.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.35 -45.8 89.53 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.541 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.64 -37.97 88.05 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.708 -0.62 . . . . 0.0 110.312 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.05 -46.71 80.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.947 -0.701 . . . . 0.0 112.071 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -67.59 -43.65 80.02 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.695 -0.628 . . . . 0.0 110.895 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.606 ' HB ' HD22 ' A' ' 30' ' ' LEU . 11.3 pt -70.71 -17.47 20.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 C-N-CA 118.608 -1.237 . . . . 0.0 110.963 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.98 -36.61 48.73 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.74 -48.08 78.47 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -66.29 -27.04 67.62 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.299 0.571 . . . . 0.0 110.658 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -71.2 -32.36 68.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.043 -1.036 . . . . 0.0 110.008 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -66.44 -46.9 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -52.17 -51.3 58.89 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.937 0.399 . . . . 0.0 111.098 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.9 -41.57 98.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.03 -31.16 64.27 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.532 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.29 -36.67 82.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -64.79 -45.63 85.52 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.664 0.745 . . . . 0.0 110.1 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.67 -41.95 96.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.621 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' HZ1' ' A' ' 15' ' ' LYS . 83.4 mt -74.19 -43.14 58.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -63.99 -21.23 66.41 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 122.473 -0.142 . . . . 0.0 111.232 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -66.28 -16.1 63.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.95 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.08 80.26 1.4 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 116.97 1.548 . . . . 0.0 116.97 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -73.2 -7.84 53.21 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 64.6 -163.28 0.26 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.06 155.61 40.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.248 0.547 . . . . 0.0 112.157 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.781 0.801 . . . . 0.0 112.906 178.117 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.202 -1.4 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.95 -60.7 2.76 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.73 -16.76 56.83 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.99 -37.68 88.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -71.81 -24.11 61.67 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.29 -36.58 79.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.94 -32.52 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.874 -0.516 . . . . 0.0 109.735 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.16 -33.29 67.61 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.865 -0.522 . . . . 0.0 110.117 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.27 -45.38 98.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -63.56 -25.78 68.4 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.651 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -77.64 -37.08 50.78 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.698 -0.627 . . . . 0.0 110.064 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.39 77.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.337 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -63.95 -36.23 83.28 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.682 -0.636 . . . . 0.0 110.952 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -65.27 -43.02 92.6 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.92 88.02 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.071 0.462 . . . . 0.0 111.356 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -61.72 -39.68 92.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.906 -0.496 . . . . 0.0 110.223 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -67.35 -36.14 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.127 -0.358 . . . . 0.0 110.355 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.57 -50.89 69.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.98 -42.6 85.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.63 -49.11 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -64.69 -32.2 73.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -75.25 -21.98 58.19 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -102.38 -7.64 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -68.42 -23.57 64.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 . . . . . 0 N--CA 1.473 0.719 0 CA-C-O 121.781 0.801 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -98.36 12.19 35.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.321 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -53.55 -42.37 67.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -79.89 -34.07 39.43 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.8 -0.562 . . . . 0.0 109.798 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.0 -48.09 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.8 ptp -69.08 -33.8 74.11 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.55 -45.35 90.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -58.18 9.54 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -48.76 -50.03 35.73 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.82 -39.14 90.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.661 -0.649 . . . . 0.0 112.087 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.33 -39.55 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.55 -22.87 43.28 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.899 -0.721 . . . . 0.0 112.017 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.0 98.19 Favored Glycine 0 C--O 1.208 -1.511 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.73 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.55 -40.48 97.1 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.695 1.248 . . . . 0.0 109.86 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -64.34 -34.58 78.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.05 -20.71 61.63 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 121.776 -0.578 . . . . 0.0 111.542 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.45 -33.17 62.86 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 30' ' ' LEU . 54.3 mt-10 -65.3 -40.27 93.58 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 123.374 1.559 . . . . 0.0 107.164 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -65.62 -26.2 67.72 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.242 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -75.87 -34.19 60.02 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 120.661 1.573 . . . . 0.0 110.916 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 27' ' ' GLU . 4.2 mp -55.13 -56.59 18.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 103.226 -2.879 . . . . 0.0 103.226 170.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -67.39 -35.52 79.48 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -172.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.94 -37.01 78.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.91 -55.12 32.9 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -65.75 -38.09 88.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 116.9 -1.92 . . . . 0.0 112.697 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.688 -0.633 . . . . 0.0 112.46 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.2 -29.88 66.85 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.31 -0.869 . . . . 0.0 109.764 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.09 -45.15 78.13 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -57.29 -45.51 84.06 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.34 -39.06 91.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.594 0.235 . . . . 0.0 110.89 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.62 77.57 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -73.82 -60.67 2.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 116.927 -1.909 . . . . 0.0 109.078 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.35 -44.48 44.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -96.1 -44.27 7.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -100.53 -3.32 30.93 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -169.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 70.58 -38.58 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p 68.51 145.25 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.632 1.973 . . . . 0.0 113.62 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.22 -21.64 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.35 42.26 1.1 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -51.5 136.38 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 64.39 -4.67 0.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.8 3.91 6.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.967 0.507 . . . . 0.0 112.012 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -38.51 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 -170.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -148.63 -60.99 0.24 Allowed 'General case' 0 C--O 1.241 0.611 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.5 mt 57.41 -173.93 0.08 Allowed 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.819 0.819 . . . . 0.0 109.337 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.04 -42.7 80.97 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.53 -50.45 72.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -78.69 -30.47 46.13 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.081 -1.048 . . . . 0.0 109.747 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.99 -48.73 80.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.18 -40.71 86.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.221 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.37 -36.17 58.28 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.65 -44.24 82.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 pt -74.3 -18.69 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.491 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -69.49 -42.48 74.71 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.25 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.53 70.81 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.985 0.898 . . . . 0.0 111.194 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -73.99 -24.51 59.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.75 -1.219 . . . . 0.0 111.44 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -71.48 -46.87 58.7 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -52.3 -50.65 61.77 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.43 79.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.89 92.86 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.841 0.829 . . . . 0.0 108.936 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 95' ' ' GLN . 39.9 mtt180 -62.53 -36.9 84.05 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.592 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.92 -31.32 67.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.22 -0.3 . . . . 0.0 110.697 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -67.02 -46.17 75.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -63.53 -39.86 95.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.38 -45.76 92.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -33.25 69.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.285 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -79.33 1.78 23.88 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.11 -0.636 . . . . 0.0 112.022 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.5 170.57 54.49 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-O 121.76 0.644 . . . . 0.0 111.901 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 t -134.36 -169.06 2.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.755 -0.85 . . . . 0.0 108.811 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 126.01 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.257 0.223 . . . . 0.0 111.333 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.15 143.58 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.552 1.541 . . . . 0.0 114.317 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.773 0.796 . . . . 0.0 109.244 172.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 54.8 p90 . . . . . 0 C--O 1.212 -0.913 0 N-CA-C 110.588 -0.152 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -54.57 43.11 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.594 0.712 . . . . 0.0 109.785 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.49 -36.02 73.58 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.71 -22.58 64.34 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.5 tp -72.5 -34.69 67.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -73.34 -24.85 60.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.305 -0.872 . . . . 0.0 108.934 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 71' ' ' ARG . 95.2 mm-40 -73.68 -26.11 60.57 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.006 -1.059 . . . . 0.0 110.005 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.1 -40.42 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -58.95 -38.58 79.36 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.81 -36.35 75.57 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.18 78.58 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.5 -38.53 91.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.992 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -64.86 -34.22 77.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.732 -0.605 . . . . 0.0 110.831 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -68.11 -40.52 82.53 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.58 89.58 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.772 0.796 . . . . 0.0 110.174 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.71 -43.22 94.2 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.093 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -41.06 95.46 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.12 -0.363 . . . . 0.0 110.543 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.95 -51.62 63.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.94 -42.95 99.2 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.771 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.19 -42.65 95.49 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -66.49 -31.15 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.02 -20.76 51.9 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.0 p -100.86 -4.86 27.02 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -63.93 -27.62 69.27 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.65 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 120.883 0.373 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.96 6.14 49.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 p -45.51 -44.8 12.87 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 10.5 pttp -47.91 -71.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 57.6 mm-40 -81.01 -22.86 39.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.756 -174.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -48.69 74.48 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.6 -36.63 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.777 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.71 -38.17 90.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.01 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.95 -40.67 68.53 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.969 -0.457 . . . . 0.0 109.822 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.41 -40.37 82.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.8 ttt -62.72 -47.97 81.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.714 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -56.16 -51.73 66.92 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.41 0.55 . . . . 0.0 111.162 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -65.24 -38.55 90.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.752 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.9 mt -84.85 -25.24 28.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.28 -36.02 81.9 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.93 -37.46 87.98 Favored Glycine 0 C--O 1.215 -1.051 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.057 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.06 -39.75 95.67 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.266 1.033 . . . . 0.0 108.753 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -66.41 -35.71 80.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.53 -31.46 72.63 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.405 -0.81 . . . . 0.0 110.305 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.858 0.754 . . . . 0.0 110.127 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.56 -46.03 81.04 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 123.613 1.673 . . . . 0.0 107.042 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -64.58 -18.8 65.21 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.733 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -82.02 -34.12 29.73 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 119.562 1.074 . . . . 0.0 109.436 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -46.98 84.6 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 172.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -67.45 -36.71 81.73 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.99 -1.084 . . . . 0.0 113.571 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.27 -40.9 96.93 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.97 -53.11 61.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.941 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -41.46 79.6 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.647 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.53 -44.09 79.19 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 121.128 -0.982 . . . . 0.0 112.291 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -71.7 -31.17 66.45 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.42 -45.91 85.5 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.64 -48.0 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -62.56 -44.58 95.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.275 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.06 76.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.088 0.471 . . . . 0.0 110.07 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.18 2.95 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 118.459 -1.296 . . . . 0.0 108.324 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.48 -37.14 72.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -171.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -90.8 -46.09 8.43 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.438 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -98.2 -37.95 9.49 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 40.05 63.82 1.0 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -58.05 166.08 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.649 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.04 -23.38 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.7 -14.87 63.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -41.82 -35.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -171.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -55.97 -34.7 65.96 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.213 -0.304 . . . . 0.0 111.729 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -137.47 19.14 2.91 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.44 -15.97 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -134.49 -121.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.009 -0.432 . . . . 0.0 109.903 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.3 mt 62.06 177.37 0.13 Allowed 'General case' 0 C--O 1.244 0.781 0 CA-C-O 122.295 1.045 . . . . 0.0 110.853 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.32 -38.47 63.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.116 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -65.2 -54.9 22.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -30.21 66.36 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.972 -177.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -51.12 71.32 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 122.052 0.929 . . . . 0.0 109.432 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.34 -36.29 83.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.239 -0.913 . . . . 0.0 111.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.07 -38.91 72.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.41 -42.79 64.73 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.69 -31.26 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 174.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.41 -32.44 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.881 -1.137 . . . . 0.0 110.62 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.59 -45.26 72.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.34 75.25 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.834 0.826 . . . . 0.0 110.138 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -64.47 -34.69 78.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.772 -0.58 . . . . 0.0 110.679 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -66.28 -48.61 69.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.94 -48.86 72.61 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.576 0.703 . . . . 0.0 110.232 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.97 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -43.1 97.14 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.676 -0.64 . . . . 0.0 109.517 178.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -60.52 -38.59 84.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.11 -31.18 65.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.16 -0.337 . . . . 0.0 111.731 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.9 -41.85 74.16 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.991 -0.443 . . . . 0.0 110.046 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -63.31 -40.7 98.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.37 -45.84 92.69 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.343 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -41.47 78.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.932 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.34 -5.16 30.42 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.55 -160.56 13.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -155.38 -163.38 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.36 1.62 1.07 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -149.03 166.27 29.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 122.883 1.325 . . . . 0.0 110.672 178.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 46.3 p90 . . . . . 0 C--O 1.212 -0.897 0 N-CA-C 108.245 -1.021 . . . . 0.0 108.245 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.78 76.25 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.917 -0.489 . . . . 0.0 111.22 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.69 -17.63 61.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.417 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.97 -29.84 65.95 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.17 -32.79 74.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -40.27 83.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.006 0.432 . . . . 0.0 110.041 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.86 -34.96 78.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -76.93 -17.27 59.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.85 -42.4 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.0 -39.33 89.29 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.13 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.28 -44.31 83.93 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.047 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.37 76.28 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.07 -45.92 89.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -64.11 -33.72 76.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.955 -0.466 . . . . 0.0 111.406 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -67.43 -38.47 84.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.07 81.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.31 -49.12 77.13 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.08 -32.28 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.503 . . . . 0.0 111.834 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.61 -42.73 77.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.37 -34.95 79.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.7 -49.55 77.17 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -61.89 -31.02 71.27 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -78.04 -16.94 57.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 p -108.95 1.63 20.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 m -70.71 13.69 0.17 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.905 1.816 . . . . 0.0 115.905 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.13 -20.02 38.87 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -57.54 -33.78 68.47 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -55.84 -56.39 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.027 0.441 . . . . 0.0 111.505 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -79.29 -37.62 37.31 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.462 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.0 -53.74 51.96 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.9 mmm -67.68 -41.82 83.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.551 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -62.98 -47.83 81.46 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.39 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.66 -49.77 61.17 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.5 ttp -56.97 -38.94 73.71 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.07 -48.07 81.86 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.952 -0.467 . . . . 0.0 110.801 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -72.04 -33.74 68.24 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.075 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.22 -28.15 66.99 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -83.74 -23.23 31.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.71 -0.619 . . . . 0.0 112.348 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.87 -41.33 97.78 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.65 82.13 Favored Glycine 0 C--O 1.209 -1.432 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.585 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.77 -37.92 87.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.827 1.314 . . . . 0.0 109.168 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -67.69 -37.73 82.72 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -60.8 -30.89 70.33 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.351 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.57 64.11 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.687 -0.633 . . . . 0.0 110.635 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.55 -44.4 74.59 Favored 'General case' 0 C--O 1.268 2.078 0 CA-C-O 124.311 2.005 . . . . 0.0 106.966 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.02 -19.34 65.82 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.171 -1.832 . . . . 0.0 109.211 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -83.54 -26.6 29.98 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 119.723 1.147 . . . . 0.0 109.545 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 65' ' ' ALA . 12.0 mt -59.75 -55.85 29.1 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 101.519 -3.512 . . . . 0.0 101.519 170.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.85 -41.3 87.61 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -173.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.12 -38.31 85.9 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.29 -41.81 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.043 -0.979 . . . . 0.0 111.54 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -39.88 88.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 117.2 -1.8 . . . . 0.0 110.832 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.8 -35.25 80.5 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.642 -1.223 . . . . 0.0 109.646 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.73 -44.18 94.3 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.72 -48.8 79.92 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -57.35 -51.97 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.648 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.76 -29.58 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.96 92.9 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -69.16 -60.12 2.56 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 117.763 -1.575 . . . . 0.0 108.031 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -48.3 -42.52 31.19 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -95.98 -46.39 6.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -99.63 -38.01 8.9 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -167.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 33.85 49.82 0.29 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -60.9 176.42 0.4 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 115.073 1.508 . . . . 0.0 115.073 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.55 -12.68 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.114 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.57 13.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.752 -0.592 . . . . 0.0 111.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -48.87 -33.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -22.1 66.59 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.981 -0.449 . . . . 0.0 111.842 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -105.61 -25.36 12.3 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.403 0.681 . . . . 0.0 111.112 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 50.2 t -65.05 -13.55 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.403 0.681 . . . . 0.0 111.477 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -49.18 123.9 8.08 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -49.92 -52.79 30.54 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -60.71 -43.96 97.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.356 0.598 . . . . 0.0 110.852 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.5 -48.94 70.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.368 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -44.4 90.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.644 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.97 -48.3 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -56.53 -49.99 73.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.297 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -39.75 74.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.4 -44.8 67.22 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.878 -0.514 . . . . 0.0 111.412 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.456 ' HB ' HD22 ' A' ' 30' ' ' LEU . 8.1 pt -74.52 -17.57 16.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.981 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -74.6 -33.82 62.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.61 -47.16 70.47 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.31 -30.69 70.65 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.539 0.685 . . . . 0.0 110.042 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -66.35 -32.22 73.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.342 -0.849 . . . . 0.0 110.766 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -47.92 67.63 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -53.82 -49.94 67.27 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 110.601 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.27 89.71 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -62.93 -42.09 99.69 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.11 -44.4 96.73 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.03 -24.88 65.14 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 122.191 -0.318 . . . . 0.0 110.682 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -73.17 -43.48 61.4 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -40.47 96.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.28 -40.67 94.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -19.2 46.83 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -58.43 -20.35 44.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.729 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.99 27.89 71.42 Favored Glycine 0 CA--C 1.508 -0.397 0 N-CA-C 117.408 1.723 . . . . 0.0 117.408 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -65.92 113.79 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.14 4.45 10.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -149.72 135.88 18.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 C--N 1.324 -0.507 0 CA-C-O 121.8 0.81 . . . . 0.0 111.254 177.219 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.8 p90 . . . . . 0 C--O 1.212 -0.902 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.68 17.95 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.69 -16.81 60.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.949 -1.094 . . . . 0.0 109.717 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.43 -24.77 67.74 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 172.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.22 -23.45 62.02 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 120.807 -1.183 . . . . 0.0 109.942 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -77.47 -29.62 52.8 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.98 -40.21 91.02 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 173.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -33.95 77.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.847 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.04 -42.7 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -63.42 -35.23 79.72 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.068 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -72.48 -33.85 67.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.669 0.668 . . . . 0.0 110.58 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.68 87.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -39.65 95.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.181 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -65.07 -35.96 82.82 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.824 -0.548 . . . . 0.0 110.468 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.66 -45.25 94.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.66 98.43 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.942 0.401 . . . . 0.0 110.397 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.1 -41.97 99.48 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.46 0.647 . . . . 0.0 111.471 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -67.98 -32.45 72.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.555 0.693 . . . . 0.0 110.335 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.18 -36.29 74.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.68 -42.52 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -57.26 -49.84 74.77 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.0 p -65.18 -29.05 69.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.542 0.687 . . . . 0.0 112.163 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -11.25 59.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.136 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 p -128.06 12.09 6.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 m -66.8 -5.53 12.58 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 176.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 120.492 0.187 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.9 m-30 -86.98 -18.64 30.21 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.943 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -45.65 -36.95 5.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -172.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -63.0 1.28 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -82.84 -28.27 30.26 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -56.29 -51.51 67.92 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -40.56 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.722 -0.611 . . . . 0.0 111.434 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -61.19 -48.68 80.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.197 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -69.56 -42.6 74.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.05 -40.21 84.44 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttt -62.66 -51.65 66.41 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -39.76 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.086 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.18 -36.15 74.45 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.91 -0.494 . . . . 0.0 111.775 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.33 -26.32 38.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.55 -35.48 81.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.51 89.69 Favored Glycine 0 C--O 1.216 -1.019 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.1 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.05 -40.53 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.888 0.844 . . . . 0.0 109.244 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.56 -39.74 95.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -62.52 -28.87 70.15 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.638 -0.664 . . . . 0.0 110.498 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.56 68.03 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.915 0.779 . . . . 0.0 110.612 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.06 -41.73 85.96 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 124.052 1.882 . . . . 0.0 106.952 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.59 -18.13 65.2 Favored 'General case' 0 C--O 1.2 -1.502 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.834 175.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -81.08 -35.57 31.55 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.271 0.942 . . . . 0.0 111.101 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -65.95 -43.08 89.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 172.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -64.55 -36.79 85.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 118.851 -1.14 . . . . 0.0 113.589 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -46.07 91.03 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.36 -49.91 74.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.597 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -40.8 81.18 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.988 -1.485 . . . . 0.0 113.125 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -49.93 71.59 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 110.588 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -70.54 -27.18 63.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.736 -176.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -57.13 -43.82 82.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.46 -40.68 89.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.583 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.69 74.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.9 -61.88 1.72 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 117.445 -1.702 . . . . 0.0 107.305 172.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.88 -38.44 49.61 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -173.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -95.78 -46.5 6.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -101.11 -19.11 15.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -169.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 40.47 44.54 1.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.5 t -47.67 140.29 6.4 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.44 -6.72 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.053 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -71.75 6.42 1.98 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.59 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.5 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 12.9 p -47.68 -35.6 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.261 0.624 . . . . 0.0 112.662 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -22.57 67.02 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -101.69 -27.78 12.86 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 17.3 t -70.73 -13.13 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.083 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -41.35 123.8 2.2 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.753 1.263 . . . . 0.0 113.164 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -36.1 -58.28 0.67 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 119.85 3.278 . . . . 0.0 119.85 -166.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.82 -54.18 49.85 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 118.812 0.733 . . . . 0.0 112.729 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.81 -47.72 82.24 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -57.9 -50.02 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.307 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 mt -59.17 -49.31 78.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -60.92 -39.68 90.3 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.379 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -45.3 51.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.58 -44.03 75.25 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.743 0.783 . . . . 0.0 110.357 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.423 HG23 HD22 ' A' ' 30' ' ' LEU . 81.6 mt -63.12 -32.3 55.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -68.38 -32.25 72.19 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.057 -1.027 . . . . 0.0 111.653 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.09 -46.79 66.89 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.92 73.24 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.608 0.718 . . . . 0.0 110.989 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -63.72 -37.59 87.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.862 -0.524 . . . . 0.0 109.724 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.1 -46.78 75.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.204 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.07 -41.54 99.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.55 -37.87 87.84 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.203 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.89 -27.58 62.94 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.971 -0.456 . . . . 0.0 109.99 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.64 -46.39 47.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.07 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.31 -32.82 74.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.276 -0.89 . . . . 0.0 108.983 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.75 -49.81 74.91 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.544 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -13.67 62.23 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -98.08 -0.01 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.996 0.427 . . . . 0.0 110.72 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.19 17.34 19.45 Favored Glycine 0 CA--C 1.52 0.406 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.249 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 78.7 p -66.91 129.56 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 50.17 38.0 16.09 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.244 1.021 . . . . 0.0 109.943 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -117.25 -84.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.282 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.808 0.813 . . . . 0.0 113.097 -178.603 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.2 p90 . . . . . 0 C--O 1.212 -0.895 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.94 -56.52 12.77 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.97 -22.44 64.1 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.613 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -63.65 -38.62 91.8 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 173.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.57 -25.57 67.48 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.503 -0.748 . . . . 0.0 110.109 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.02 -36.11 72.28 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 121.648 -0.658 . . . . 0.0 109.355 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.69 -41.19 98.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -69.2 -25.04 64.13 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.538 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.57 -40.37 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.2 ttm105 -60.02 -41.58 92.5 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.33 -31.07 69.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.275 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.71 -47.28 75.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.51 -40.64 97.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.484 0.659 . . . . 0.0 110.294 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.64 -38.6 85.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -67.24 -39.75 86.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.98 67.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.099 0.476 . . . . 0.0 110.7 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.18 -33.41 75.41 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -77.5 -23.98 50.17 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.926 -1.109 . . . . 0.0 111.731 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.25 -42.0 80.31 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -41.91 90.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.389 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -57.27 -50.93 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.9 p -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -77.97 -20.25 53.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.911 -0.493 . . . . 0.0 111.324 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -104.89 0.25 27.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.911 0.386 . . . . 0.0 111.857 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -73.02 9.85 1.08 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.7 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 . . . . . 0 C--O 1.222 -0.348 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -86.88 -14.98 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.2 p -60.24 -27.49 67.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -61.66 -55.41 30.78 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.35 -27.57 34.87 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.362 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -62.27 -51.37 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 tpt -65.28 -38.95 91.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.46 -43.24 97.11 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.62 -47.11 76.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 82.9 mtp -55.69 -48.21 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.747 0.308 . . . . 0.0 110.279 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -63.12 -54.19 41.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.235 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -58.41 -46.68 85.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 0.0 111.699 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -74.64 -21.71 59.3 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.329 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 ' HD3' ' A' ' 76' ' ' ARG . 14.3 mt -80.64 -29.43 36.74 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.149 -0.969 . . . . 0.0 111.73 173.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -65.25 -39.29 92.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.13 -40.11 97.78 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.308 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.32 -39.84 94.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.104 0.952 . . . . 0.0 108.848 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -66.42 -35.56 80.61 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.654 -0.654 . . . . 0.0 110.105 176.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -63.61 -33.39 75.51 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.97 83.81 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.493 -0.754 . . . . 0.0 110.794 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HA ' HD13 ' A' ' 30' ' ' LEU . 68.7 mt-10 -63.97 -43.26 96.31 Favored 'General case' 0 C--O 1.276 2.483 0 CA-C-O 123.693 1.711 . . . . 0.0 108.652 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -58.22 -40.74 82.44 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.379 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.4 -30.4 69.31 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 119.115 0.87 . . . . 0.0 112.615 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 27' ' ' GLU . 4.7 mp -58.36 -60.58 3.56 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.14 -26.58 42.78 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -170.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.27 -29.8 57.58 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.5 -37.89 74.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.457 HE22 ' CG2' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.71 -57.5 10.61 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.526 173.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.04 -42.8 99.56 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.465 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -63.6 -41.49 98.31 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 122.082 -0.386 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.53 -46.48 85.83 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -59.95 -43.38 95.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.623 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -71.11 -35.96 71.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.636 0.653 . . . . 0.0 112.188 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.15 86.18 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -59.13 3.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.71 -1.196 . . . . 0.0 108.006 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -46.96 -45.05 20.57 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -95.99 -46.35 6.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -101.16 -22.52 14.66 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -168.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.23 54.09 0.99 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -41.53 156.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.56 -18.12 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.258 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -81.92 18.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.146 -0.346 . . . . 0.0 111.778 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -53.72 -33.55 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.11 -39.54 86.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -70.61 -35.87 73.2 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.25 -14.27 15.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -38.39 105.0 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.156 1.455 . . . . 0.0 114.458 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.1 mt -40.35 -51.11 2.82 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -164.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.52 -65.72 0.61 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.826 1.194 . . . . 0.0 112.158 -174.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -65.15 -42.41 93.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -57.93 -56.27 24.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.579 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.79 -37.32 87.2 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.809 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.11 -46.86 88.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.578 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.32 -35.14 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.031 0.443 . . . . 0.0 111.155 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -56.53 19.73 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 123.575 0.75 . . . . 0.0 109.907 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.457 ' CG2' HE22 ' A' ' 34' ' ' GLN . 16.2 pt -68.32 -19.53 24.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.377 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -75.99 -32.77 59.61 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 119.295 0.952 . . . . 0.0 108.664 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.84 -45.89 66.82 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.48 77.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.741 0.781 . . . . 0.0 109.637 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.63 -32.88 74.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.901 0.48 . . . . 0.0 111.193 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -65.43 -50.71 64.4 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -53.26 -47.07 69.41 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.982 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.68 91.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.49 -41.76 98.55 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.85 -43.81 97.84 Favored 'General case' 0 C--O 1.206 -1.197 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.06 -33.57 76.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.393 . . . . 0.0 110.498 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -66.04 -43.77 86.56 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.925 -0.484 . . . . 0.0 110.347 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.31 -30.71 65.04 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.641 -0.662 . . . . 0.0 110.794 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -39.13 82.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD3' HD21 ' A' ' 20' ' ' LEU . 36.7 ttp180 -60.05 -36.85 78.23 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 175.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -79.75 5.44 13.47 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.81 179.37 45.73 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.462 HG23 ' H ' ' A' ' 81' ' ' ASN . 6.9 t -148.02 -175.06 4.74 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.288 -1.125 . . . . 0.0 110.978 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.52 -21.44 60.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.462 ' H ' HG23 ' A' ' 79' ' ' THR . 24.1 t-20 -135.16 120.01 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.321 -0.657 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -177.595 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.5 p90 . . . . . 0 C--O 1.198 -1.634 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.87 68.54 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.848 1.658 . . . . 0.0 111.994 -174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -68.57 -22.94 64.44 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.072 -1.017 . . . . 0.0 110.848 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.27 -36.05 71.58 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.31 -21.19 61.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.8 tp -74.22 -33.53 63.4 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -64.28 -39.01 93.07 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -71.07 -20.87 62.31 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.875 -0.516 . . . . 0.0 112.347 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -69.27 -42.04 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 171.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -63.83 -33.78 76.44 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.25 -46.8 79.11 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 117.965 0.348 . . . . 0.0 110.178 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.42 69.37 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.549 0.69 . . . . 0.0 109.249 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.69 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -64.42 -32.79 74.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.831 -0.543 . . . . 0.0 111.475 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -64.32 -44.78 90.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.91 91.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.68 0.752 . . . . 0.0 110.525 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.12 -49.18 78.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.932 -0.48 . . . . 0.0 110.719 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.81 -44.0 97.3 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.151 0.501 . . . . 0.0 110.503 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -58.37 -46.28 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.4 p -67.18 -27.07 66.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.841 -0.537 . . . . 0.0 112.063 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.47 -15.19 59.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.197 -0.314 . . . . 0.0 110.648 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 p -111.55 -14.37 13.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.7 m -60.49 -50.55 73.1 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 -174.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.117 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 121.594 0.711 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -87.01 12.16 11.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -57.62 -34.92 69.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -39.48 92.28 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.659 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.18 -29.73 26.37 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -57.9 -46.03 85.57 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.46 -43.24 81.53 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.606 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.75 -47.15 86.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -74.71 -30.14 61.43 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 ttp -59.91 -44.11 94.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.79 -49.38 76.58 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.506 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -59.46 -53.68 55.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.492 0.663 . . . . 0.0 111.943 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -88.15 -15.23 36.63 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -167.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 20' ' ' LEU . 16.2 mt -85.71 -30.68 22.95 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.207 -1.397 . . . . 0.0 108.798 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.27 -35.6 80.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.482 -2.414 . . . . 0.0 104.482 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.51 -37.79 94.89 Favored Glycine 0 C--O 1.213 -1.171 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.103 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.59 -41.39 96.27 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.157 0.978 . . . . 0.0 108.48 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.95 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -26.58 67.53 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.996 174.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.59 64.92 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HA ' HD13 ' A' ' 30' ' ' LEU . 50.6 tt0 -64.35 -45.1 89.28 Favored 'General case' 0 C--O 1.271 2.192 0 CA-C-O 124.286 1.993 . . . . 0.0 108.016 173.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -65.28 -18.75 65.56 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.483 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 p -77.17 -39.11 50.13 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 119.549 1.068 . . . . 0.0 108.972 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.1 mp -54.12 -56.32 19.21 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 102.585 -3.117 . . . . 0.0 102.585 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 34' ' ' GLN . 6.7 m-70 -67.18 -35.35 79.46 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -173.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.3 -36.05 82.88 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.041 0.837 . . . . 0.0 109.09 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -49.9 65.15 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -65.63 -36.6 84.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.055 -1.858 . . . . 0.0 111.622 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.37 -44.07 95.82 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.138 0.881 . . . . 0.0 111.078 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HD3' HD13 ' A' ' 107' ' ' LEU . 74.8 ttt180 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.769 -0.582 . . . . 0.0 109.937 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.8 -47.17 75.97 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -61.24 -42.42 98.59 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.83 -40.0 91.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.893 0.315 . . . . 0.0 111.032 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.07 97.4 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.41 -58.8 5.44 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 117.871 -1.532 . . . . 0.0 110.526 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -51.95 -44.06 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -172.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.7 -46.56 8.91 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.431 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.52 -38.08 8.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -172.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 28.95 54.56 0.1 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.431 1.082 . . . . 0.0 111.946 -176.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -77.13 -128.73 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.386 -171.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.6 m -60.88 -13.43 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 120.61 -1.306 . . . . 0.0 109.609 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.07 -33.72 72.45 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.645 1.178 . . . . 0.0 112.204 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.07 -25.46 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.502 0.592 . . . . 0.0 111.572 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -97.65 -8.15 29.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.251 -0.281 . . . . 0.0 111.592 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -135.23 1.67 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -50.62 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.208 0.913 . . . . 0.0 113.201 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.6 m80 49.68 53.03 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -39.72 -44.98 1.64 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.15 -48.38 78.69 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.471 -0.768 . . . . 0.0 110.005 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.65 -43.98 97.43 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -58.91 -56.48 21.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.689 0.618 . . . . 0.0 111.369 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.33 -47.37 85.64 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.43 -32.4 74.01 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 119.82 -0.752 . . . . 0.0 112.035 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.66 -46.59 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 119.099 0.863 . . . . 0.0 111.802 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -62.61 -43.88 97.69 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.7 pt -73.24 -17.64 17.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 120.857 -1.152 . . . . 0.0 113.637 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -73.45 -35.57 65.76 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.91 -43.57 74.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.66 73.95 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.803 0.811 . . . . 0.0 109.994 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.58 -30.71 71.74 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 121.589 -0.695 . . . . 0.0 110.373 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -70.59 -46.37 63.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.77 -53.11 56.91 Favored 'General case' 0 C--O 1.25 1.094 0 CA-C-O 121.517 0.675 . . . . 0.0 110.269 172.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.26 -38.3 76.67 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -64.3 -38.52 91.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.977 -0.452 . . . . 0.0 110.099 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -69.47 -39.32 77.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.46 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.07 -38.45 91.1 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.027 0.918 . . . . 0.0 108.806 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -65.66 -47.96 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.221 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.89 -31.5 72.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.901 -0.499 . . . . 0.0 110.121 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.52 -43.67 89.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -59.95 -30.52 69.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -79.18 -5.62 54.66 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 122.004 -0.435 . . . . 0.0 111.156 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.11 -156.55 10.31 Favored Glycine 0 CA--C 1.521 0.419 0 CA-C-O 121.827 0.681 . . . . 0.0 113.577 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 81' ' ' ASN . 10.0 t -165.35 -167.19 1.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.17 4.51 0.33 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.426 ' H ' HG23 ' A' ' 79' ' ' THR . 47.8 t-20 -82.08 84.66 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 CA--C 1.546 0.81 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.359 178.446 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.61 -56.84 12.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.806 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.82 -16.84 59.32 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.752 -1.218 . . . . 0.0 109.994 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.66 -19.87 43.16 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.76 -51.93 67.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.97 -41.33 97.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.822 0.344 . . . . 0.0 110.216 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.64 -39.32 91.31 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.263 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.02 -34.31 64.08 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.611 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.15 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -56.45 -50.17 72.48 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.35 -27.92 59.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.35 -55.22 22.63 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.55 -43.22 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.991 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -62.85 -38.82 92.34 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -64.32 -46.7 82.41 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.62 80.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.509 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.15 -48.4 78.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.174 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -62.84 -40.58 97.87 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.55 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.49 -50.22 64.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD13 ' HD3' ' A' ' 36' ' ' ARG . 12.0 mt -60.59 -43.52 97.29 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.44 -53.19 61.1 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -57.45 -43.42 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.41 -20.69 50.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.534 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 -7.17 54.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.8 m -67.06 -24.08 65.94 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 . . . . . 0 C--N 1.323 -0.575 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 120.707 0.289 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -86.98 -6.3 58.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -56.55 -32.62 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -59.39 -56.44 22.05 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -77.34 -32.76 55.36 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.966 -0.459 . . . . 0.0 109.824 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -58.92 -49.0 79.48 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 117.972 0.351 . . . . 0.0 110.099 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.9 mmm -69.31 -38.56 78.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.772 -0.58 . . . . 0.0 110.858 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.81 -43.57 98.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.72 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.76 -46.41 78.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.558 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 10.6 ttt -55.8 -46.09 78.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.932 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtm -66.06 -42.24 89.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.065 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.09 -42.32 94.18 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.123 0.487 . . . . 0.0 111.362 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.04 -24.35 43.66 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 20' ' ' LEU . 22.2 mt -79.4 -27.07 41.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.262 -0.899 . . . . 0.0 110.669 174.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.23 -44.88 95.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 170.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -38.97 95.69 Favored Glycine 0 C--O 1.209 -1.418 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.361 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.38 -41.86 93.31 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.406 1.103 . . . . 0.0 110.22 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.46 -35.25 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.31 -20.57 60.77 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.31 65.81 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.65 -41.36 88.37 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 123.4 1.571 . . . . 0.0 107.039 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -60.08 -34.75 73.88 Favored 'General case' 0 C--O 1.192 -1.956 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.553 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 p -68.6 -41.74 79.14 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 120.086 1.312 . . . . 0.0 112.115 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -50.71 72.78 Favored 'General case' 0 C--O 1.269 2.09 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -69.42 -29.39 67.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 117.434 -1.706 . . . . 0.0 115.319 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -70.08 -34.8 73.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.64 -47.9 83.29 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.405 HE22 ' CG2' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -71.91 -34.4 69.09 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 116.747 -1.981 . . . . 0.0 114.379 176.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.34 -43.23 91.56 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.868 -1.145 . . . . 0.0 109.148 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.67 -19.8 62.03 Favored 'General case' 0 C--O 1.199 -1.595 0 O-C-N 121.48 -0.762 . . . . 0.0 109.698 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 1.7 tp -69.15 -44.77 71.63 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-N 119.68 1.127 . . . . 0.0 108.196 169.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -43.91 76.73 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.9 -36.17 72.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.9 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -83.19 -63.83 1.28 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 115.197 -2.601 . . . . 0.0 109.084 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -60.41 -40.65 91.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -96.02 -36.49 11.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.506 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -96.79 -37.67 10.18 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.694 2.479 . . . . 0.0 117.694 -170.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 46.73 54.96 8.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.519 0.676 . . . . 0.0 111.917 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -62.83 169.96 2.91 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.416 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 m -57.67 -26.34 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.06 19.44 18.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.9 -27.71 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.58 -29.41 70.01 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.236 0.541 . . . . 0.0 111.822 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -149.1 34.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -53.4 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 16.6 m170 -124.16 -60.19 1.44 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 111.294 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tp 61.29 -179.55 0.11 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.143 -174.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.35 80.1 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.194 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.326 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.299 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.24 -46.7 85.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.225 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -59.46 -39.73 84.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.887 -0.508 . . . . 0.0 110.026 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -72.66 -41.52 65.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.22 -41.26 77.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 109.814 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.417 HG21 HD13 ' A' ' 62' ' ' ILE . 7.1 pt -73.31 -17.61 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 118.341 -1.343 . . . . 0.0 110.209 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.37 -30.67 57.66 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 171.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.5 tp -67.63 -43.79 79.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 173.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.42 87.42 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.822 0.82 . . . . 0.0 110.528 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -65.4 -31.04 71.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.067 -1.021 . . . . 0.0 109.698 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -48.69 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -51.94 -45.06 64.19 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 122.362 -0.212 . . . . 0.0 110.722 171.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.07 86.8 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.84 -42.78 99.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.56 88.39 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -74.32 -24.09 59.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.984 -0.448 . . . . 0.0 111.31 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -43.94 63.95 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -63.05 -42.0 99.6 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.43 -42.99 95.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.538 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -16.86 63.57 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.559 -0.713 . . . . 0.0 110.931 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -97.75 7.49 46.31 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.086 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.01 152.56 50.31 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-O 122.227 0.904 . . . . 0.0 114.397 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 p -85.53 167.17 15.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -60.33 -29.72 69.06 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.468 0.651 . . . . 0.0 111.024 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 128.6 22.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 CA--C 1.552 1.052 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -176.512 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 10.7 p90 . . . . . 0 C--O 1.206 -1.234 0 CA-C-O 119.377 -0.344 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.71 -56.43 9.31 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 119.272 0.942 . . . . 0.0 110.632 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -71.69 -18.01 62.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.91 -1.119 . . . . 0.0 108.812 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.72 -30.52 69.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.12 -26.65 67.55 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.3 tp -73.89 -35.24 64.67 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.335 -0.853 . . . . 0.0 109.635 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.69 -38.23 90.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.79 -31.52 69.49 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.436 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.18 -45.59 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -59.79 -42.11 92.67 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.72 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -71.75 -29.14 64.19 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.877 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.77 66.02 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -42.11 98.6 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.182 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -63.99 -34.53 78.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.21 0.529 . . . . 0.0 111.744 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -65.77 -42.56 90.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.79 98.63 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 123.28 0.362 . . . . 0.0 110.168 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.87 -50.84 69.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.517 0.675 . . . . 0.0 111.18 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.15 -53.81 50.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.14 -35.23 76.52 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.9 -50.9 71.53 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -60.49 -36.17 77.69 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -78.09 -20.59 51.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.294 0.568 . . . . 0.0 110.072 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.4 p -103.46 5.67 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.3 m -62.44 -11.93 18.83 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.4 t90 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 174.86 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 . . . . . 0 C--O 1.216 -0.668 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -21.06 28.22 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.912 0.863 . . . . 0.0 109.884 176.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -59.99 -39.46 85.82 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -45.75 91.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -82.78 -31.51 28.23 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -63.13 -43.33 98.69 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.536 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.28 -39.13 93.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.982 -0.449 . . . . 0.0 109.948 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.71 -43.55 93.09 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.677 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -63.11 -51.23 67.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -64.76 -26.45 68.36 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.305 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.3 ttp -63.87 -44.95 91.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -66.52 -50.17 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.137 0.97 . . . . 0.0 110.366 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.06 -34.02 77.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.263 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -88.99 -27.51 20.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.407 -0.808 . . . . 0.0 112.99 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.94 -35.0 74.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 173.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.45 91.15 Favored Glycine 0 C--O 1.211 -1.34 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.7 -46.46 88.05 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.858 0.837 . . . . 0.0 108.973 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -66.15 -35.74 81.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -66.71 -26.79 67.18 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.832 -0.542 . . . . 0.0 111.347 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.0 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -68.14 -41.46 81.58 Favored 'General case' 0 C--O 1.272 2.246 0 CA-C-O 123.665 1.698 . . . . 0.0 108.874 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -62.7 -33.45 75.13 Favored 'General case' 0 C--O 1.194 -1.84 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.365 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 p -68.57 -43.65 76.11 Favored 'General case' 0 C--O 1.203 -1.372 0 CA-C-N 119.174 0.897 . . . . 0.0 111.817 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -46.49 89.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -73.34 -24.32 60.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 116.206 -2.197 . . . . 0.0 115.021 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.58 -40.21 76.88 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -49.13 75.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.4 -57.35 13.15 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.864 -1.135 . . . . 0.0 113.382 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.17 -43.82 97.2 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -73.45 -34.53 65.45 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.109 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.13 -37.97 72.3 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.423 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -57.07 -42.61 80.97 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -71.21 -35.1 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.57 82.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -67.77 -59.06 3.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 171.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.06 -50.14 11.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.44 -40.96 8.43 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -97.85 -6.21 32.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 71.26 -34.66 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m 69.96 126.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.884 1.365 . . . . 0.0 109.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.15 -35.7 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.47 46.0 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.753 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.28 -28.32 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.35 -27.29 67.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.769 -0.582 . . . . 0.0 112.428 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.14 45.01 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.009 -171.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -44.4 -44.25 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.134 0.574 . . . . 0.0 112.478 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -150.8 -55.47 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.944 0.402 . . . . 0.0 111.309 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt 58.25 -175.04 0.08 Allowed 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.538 0.685 . . . . 0.0 109.225 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -56.83 -42.38 79.52 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.471 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.19 -56.16 24.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -28.82 48.79 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.509 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.24 -47.41 86.09 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -60.54 -38.0 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -74.08 -33.35 63.62 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.4 -52.02 67.01 Favored 'General case' 0 C--O 1.253 1.255 0 CA-C-O 123.168 1.461 . . . . 0.0 107.812 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.67 -33.73 58.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.544 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.47 -35.35 77.43 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.668 0.667 . . . . 0.0 111.866 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.82 -48.51 66.03 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.52 71.33 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.516 0.674 . . . . 0.0 110.328 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -64.86 -34.4 78.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -69.21 -48.15 62.83 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -51.28 -48.86 62.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 122.654 1.216 . . . . 0.0 111.301 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.62 73.18 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.253 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -62.48 -43.53 98.58 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -61.95 -46.53 88.89 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.291 0.567 . . . . 0.0 109.529 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.13 -29.81 70.7 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.158 0.504 . . . . 0.0 111.292 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -79.9 -32.24 40.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.78 -35.04 76.55 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.14 76.88 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -56.57 -22.33 32.8 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.308 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.38 -30.45 64.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 117.758 0.254 . . . . 0.0 110.633 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.56 31.15 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 N-CA-C 117.426 1.73 . . . . 0.0 117.426 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.7 m -76.31 128.31 34.62 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 117.705 0.752 . . . . 0.0 111.976 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -103.64 -36.12 8.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.811 0.815 . . . . 0.0 109.758 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -167.28 -162.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.233 0 CA-C-O 122.219 1.009 . . . . 0.0 111.0 173.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--O 1.212 -0.882 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -56.63 14.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.188 -0.945 . . . . 0.0 111.944 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -74.28 -19.37 60.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.18 -32.63 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.8 -26.69 67.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.091 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.19 -31.14 60.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -36.88 78.3 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.42 -26.44 61.85 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.499 -0.751 . . . . 0.0 111.262 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.49 -42.99 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -59.18 -42.75 91.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -70.31 -32.24 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.89 -54.0 50.4 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.38 -44.32 95.75 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.13 -40.59 94.36 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.877 0.471 . . . . 0.0 111.654 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.61 -42.36 95.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.87 -43.58 75.08 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.84 -49.81 74.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.103 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -74.93 -18.41 60.4 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.45 -48.83 30.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -36.21 83.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.847 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.24 -47.45 83.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -63.54 -31.34 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.281 -0.262 . . . . 0.0 111.652 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -73.9 -24.79 59.75 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.569 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -92.94 -12.34 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.807 0.337 . . . . 0.0 111.777 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.2 m -75.15 -11.48 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 112.505 -178.327 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 120.999 0.428 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -108.11 31.29 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.837 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -52.87 -32.13 43.24 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.114 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -68.48 0.19 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -28.94 53.97 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.903 -0.498 . . . . 0.0 110.55 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -60.9 -47.53 85.99 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.606 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mtm -71.4 -40.88 70.25 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.75 -0.594 . . . . 0.0 109.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -56.59 -48.29 77.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.626 0.25 . . . . 0.0 110.457 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -66.35 -47.49 73.28 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -53.83 -46.61 71.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.099 0.409 . . . . 0.0 111.051 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.03 -40.27 95.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.096 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -72.53 -37.26 68.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.311 -0.556 . . . . 0.0 112.454 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.08 -39.53 90.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.09 -22.8 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.073 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.55 -37.58 85.38 Favored Glycine 0 C--O 1.212 -1.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.27 -41.31 96.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.363 1.082 . . . . 0.0 109.586 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.35 -34.03 77.21 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -68.92 -23.02 64.12 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 121.139 -0.976 . . . . 0.0 111.38 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.76 63.61 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -65.72 -45.42 82.78 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 123.819 1.771 . . . . 0.0 108.325 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -59.48 -36.28 75.72 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.801 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 p -67.43 -38.23 84.24 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 119.271 0.941 . . . . 0.0 113.052 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -45.5 77.17 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -66.75 -38.99 87.74 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.38 -36.09 82.55 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.83 -43.73 87.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.513 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.81 82.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 117.148 -1.821 . . . . 0.0 109.347 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.2 -32.19 73.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.815 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -72.74 -29.22 63.16 Favored 'General case' 0 C--O 1.206 -1.208 0 O-C-N 121.862 -0.524 . . . . 0.0 110.008 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.45 -46.5 66.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -54.29 -49.46 69.55 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -62.26 -43.52 98.64 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.635 0.255 . . . . 0.0 111.638 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.18 76.75 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -77.44 -63.96 1.25 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 115.997 -2.281 . . . . 0.0 108.911 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.91 -43.88 66.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -95.78 -39.06 10.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.78 -33.99 11.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -168.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 36.11 50.65 0.72 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -67.1 -179.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.124 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.6 m -58.82 -16.46 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.95 -0.469 . . . . 0.0 111.87 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.87 -9.67 58.58 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.85 -32.37 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -176.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.36 -38.19 24.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.913 0.863 . . . . 0.0 110.3 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.73 21.99 9.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.033 -173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.7 -34.04 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.1 m80 47.85 54.28 10.19 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -38.1 -42.25 0.64 Allowed 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.6 -49.18 78.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.902 0.858 . . . . 0.0 111.716 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.49 -37.42 77.22 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.169 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -46.79 79.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.192 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.81 -44.96 96.19 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.57 -45.01 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.229 -0.588 . . . . 0.0 112.082 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -82.64 -30.99 28.98 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.38 -43.64 73.14 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.97 -33.21 62.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.05 -36.02 81.13 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.686 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.92 -48.32 71.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.81 76.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.324 0.583 . . . . 0.0 110.357 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.994 -0.441 . . . . 0.0 110.851 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.99 -52.92 57.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -52.17 -45.27 65.03 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.309 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.55 92.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -63.28 -41.36 99.0 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.16 -39.08 93.24 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.95 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.41 -33.4 72.94 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.585 -0.697 . . . . 0.0 109.834 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.62 -48.09 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.17 -31.63 69.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.764 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -60.45 -46.39 90.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -33.31 73.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.552 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -84.88 5.74 27.65 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.477 0.656 . . . . 0.0 110.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -155.96 13.39 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.905 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -135.22 165.13 26.13 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.68 11.59 0.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.71 143.03 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.542 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 . . . . . 0 C--O 1.208 -1.081 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.45 -59.5 3.94 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.511 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 120.452 -1.405 . . . . 0.0 109.377 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.5 -34.06 76.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -66.67 -34.12 77.15 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.0 -33.63 74.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.23 -39.87 93.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.48 -25.24 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.739 -0.601 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.38 -42.95 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -60.96 -38.15 84.89 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -71.82 -30.67 65.74 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 118.549 0.613 . . . . 0.0 111.998 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.71 66.27 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.7 -34.29 72.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.127 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -69.17 -32.5 71.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.0 -0.438 . . . . 0.0 111.855 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -63.91 -42.3 97.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.38 90.88 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.257 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.21 -47.28 86.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.774 0.429 . . . . 0.0 111.441 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.9 -32.94 72.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.532 . . . . 0.0 110.721 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.05 -42.76 93.94 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.56 -38.52 90.4 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -58.74 -50.2 74.8 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 p -60.3 -35.93 76.71 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.862 0.363 . . . . 0.0 111.211 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.07 -3.54 42.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.716 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 p -126.87 7.28 6.7 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.701 0.4 . . . . 0.0 111.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 m -69.05 5.73 1.11 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.9 m95 . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.621 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -102.8 15.16 30.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.54 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 p -55.46 -37.28 67.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -42.69 99.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 111.51 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -76.66 -39.7 51.36 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -59.77 -41.22 90.6 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.271 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.5 ttm -66.25 -49.12 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.733 0.242 . . . . 0.0 110.497 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.92 -49.85 76.26 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.362 0.601 . . . . 0.0 110.356 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -61.98 -55.6 27.68 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.432 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -58.44 -35.51 72.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.946 1.248 . . . . 0.0 111.569 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.8 tpp -60.53 -49.41 77.64 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -83.77 -31.24 26.05 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -72.08 -36.35 69.51 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.67 -22.09 32.22 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.91 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.14 -39.99 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 169.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.75 -37.53 92.43 Favored Glycine 0 C--O 1.218 -0.869 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.636 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.59 -40.76 96.1 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.431 1.115 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -67.54 -36.11 80.36 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -61.88 -31.48 71.77 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.747 -0.595 . . . . 0.0 109.498 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.74 63.33 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.513 -0.742 . . . . 0.0 110.906 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . 51.5 tt0 -67.47 -45.07 77.0 Favored 'General case' 0 C--O 1.276 2.478 0 CA-C-O 124.236 1.969 . . . . 0.0 107.301 174.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -59.11 -33.26 70.63 Favored 'General case' 0 C--O 1.191 -2.021 0 CA-C-N 112.667 -2.061 . . . . 0.0 107.715 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -72.11 -31.03 65.66 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 119.568 1.076 . . . . 0.0 112.06 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 27' ' ' GLU . 5.7 mp -59.56 -55.7 31.21 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 171.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.3 -31.72 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -69.43 -36.12 76.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.45 -51.13 68.71 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -37.39 84.31 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 117.266 -1.774 . . . . 0.0 112.478 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -48.01 80.04 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.665 -0.647 . . . . 0.0 111.365 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -35.58 78.07 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.181 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.23 -49.08 77.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.01 -44.73 96.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.04 -49.09 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.964 0.411 . . . . 0.0 110.465 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.62 69.84 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.79 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -69.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 117.355 -1.738 . . . . 0.0 107.204 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -54.03 -36.26 62.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -171.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.96 -46.26 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.91 -17.67 17.47 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 68.0 -13.27 0.28 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p 65.94 153.59 0.07 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.53 1.532 . . . . 0.0 114.492 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.13 -13.1 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -83.47 14.65 3.54 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.234 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -29.94 -47.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.57 -25.24 67.89 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 64.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -44.5 -52.33 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 5.2 p80 -148.73 -72.81 0.19 Allowed 'General case' 0 C--O 1.239 0.524 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.528 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 53.7 mt 56.88 -170.9 0.09 Allowed 'General case' 0 C--O 1.254 1.32 0 CA-C-O 122.014 0.911 . . . . 0.0 111.398 -176.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.01 70.14 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.175 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -57.93 -56.07 26.79 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -72.4 -33.54 67.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 118.637 -1.225 . . . . 0.0 110.708 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.45 -44.82 95.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.435 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -65.12 -38.29 90.19 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.95 -29.8 61.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -77.31 -40.88 42.74 Favored 'General case' 0 C--O 1.248 0.995 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.71 -35.08 57.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -67.48 -34.01 76.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.728 1.149 . . . . 0.0 110.709 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -51.27 67.13 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.5 81.16 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.924 0.869 . . . . 0.0 111.516 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.46 -36.29 83.44 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.78 -0.575 . . . . 0.0 110.183 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -67.32 -47.29 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -52.31 -56.17 16.57 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.874 0.368 . . . . 0.0 111.055 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 -42.47 83.76 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -63.87 -40.96 97.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.831 -0.543 . . . . 0.0 109.548 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -68.78 -31.32 70.25 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.302 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -71.04 -31.07 67.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 118.527 0.603 . . . . 0.0 109.76 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -67.34 -44.43 79.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.63 -34.03 77.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.005 0.431 . . . . 0.0 109.921 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 tp -64.82 -45.36 86.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.449 0.643 . . . . 0.0 109.987 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.3 tpt85 -59.1 -31.09 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.296 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -76.42 -6.64 52.54 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.96 163.62 54.93 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.928 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 t -135.14 116.2 14.25 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.48 -47.63 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 120.843 3.646 . . . . 0.0 120.843 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.22 167.17 29.46 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 119.698 1.135 . . . . 0.0 113.237 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -175.613 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.9 t80 . . . . . 0 C--O 1.217 -0.612 0 N-CA-C 111.844 0.312 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.74 -61.46 2.06 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.93 -16.86 57.85 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 120.644 -1.285 . . . . 0.0 108.534 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.71 -34.0 75.01 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 171.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.49 70.94 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.434 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.14 -36.51 82.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.12 -39.38 93.92 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -71.12 -23.01 62.01 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.594 -0.691 . . . . 0.0 111.512 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 t -70.16 -41.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.4 -38.39 83.84 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -71.87 -31.76 66.79 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.39 73.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.25 -33.27 75.58 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.909 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -68.16 -35.2 77.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -66.2 -41.21 90.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.79 96.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.01 -49.43 76.88 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.432 0.693 . . . . 0.0 109.689 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.21 -42.98 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.26 -44.24 95.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.06 -42.53 98.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.702 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.85 -49.92 75.91 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p -61.56 -34.05 74.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.055 0.455 . . . . 0.0 111.859 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.01 -20.74 51.94 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.256 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.6 p -95.05 -13.04 25.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.4 m -68.41 9.83 0.3 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 120.517 0.199 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -98.59 4.82 48.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -45.72 -43.1 12.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.62 -56.13 26.14 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 60.6 mm-40 -79.0 -27.42 43.33 Favored 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.952 -0.467 . . . . 0.0 109.856 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.8 -49.14 78.7 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.04 -42.42 89.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.72 0.295 . . . . 0.0 110.586 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -63.4 -40.39 97.09 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.281 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -64.95 -51.35 62.31 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -55.32 -39.71 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.442 0.464 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.46 -47.37 82.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.307 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -60.63 -42.98 97.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.662 0.268 . . . . 0.0 110.284 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.74 -43.86 87.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.006 0.432 . . . . 0.0 110.733 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.77 -26.29 54.34 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.9 -35.35 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.13 -38.83 88.51 Favored Glycine 0 C--O 1.212 -1.26 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.691 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.01 -41.08 97.58 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.158 0.979 . . . . 0.0 109.385 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -63.04 -39.26 94.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -65.29 -25.1 67.49 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.613 -0.68 . . . . 0.0 111.836 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.28 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.88 0.764 . . . . 0.0 109.37 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.8 -42.56 90.56 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 123.669 1.7 . . . . 0.0 107.881 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.88 -29.67 70.93 Favored 'General case' 0 C--O 1.202 -1.441 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.027 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -72.48 -42.91 64.38 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 118.957 0.799 . . . . 0.0 112.443 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.86 82.3 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -65.16 -37.24 86.75 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.171 -1.412 . . . . 0.0 113.916 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.15 -44.22 92.81 Favored 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -54.66 -52.04 63.6 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.401 HE22 ' CG1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.28 -44.26 72.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.934 178.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -40.9 91.84 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.32 0.964 . . . . 0.0 110.388 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.85 -37.76 73.15 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.642 0.377 . . . . 0.0 110.148 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.18 -48.48 73.31 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -57.95 -44.3 86.9 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.596 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -65.28 -46.87 78.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.689 0.28 . . . . 0.0 111.206 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.06 74.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -63.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 117.337 -1.745 . . . . 0.0 109.821 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.41 -38.87 75.0 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -170.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -91.81 -46.04 8.08 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.069 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -97.57 -39.54 9.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 142.11 -58.69 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.987 2.115 . . . . 0.0 111.352 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 m 69.58 139.59 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.918 1.287 . . . . 0.0 110.516 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.91 -40.76 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.78 41.91 0.82 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.63 126.75 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 66.27 -43.23 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.933 1.693 . . . . 0.0 113.166 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -66.17 -7.37 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.795 1.238 . . . . 0.0 113.218 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.19 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.363 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 77.0 m80 47.88 73.38 0.21 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.52 -38.94 15.03 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.674 1.124 . . . . 0.0 110.924 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.04 -46.8 87.32 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -64.73 -45.8 84.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.077 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.7 mt -59.08 -47.18 86.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.38 -48.79 76.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.926 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.65 -48.39 66.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.83 -42.72 63.5 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.407 0.622 . . . . 0.0 111.773 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.401 ' CG1' HE22 ' A' ' 34' ' ' GLN . 63.5 mt -64.45 -36.79 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -67.19 -28.91 68.49 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.148 1.34 . . . . 0.0 111.259 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -50.11 62.36 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.11 73.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.474 0.654 . . . . 0.0 110.53 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -65.57 -36.52 84.01 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.978 -0.451 . . . . 0.0 109.913 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -63.67 -51.14 66.45 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.17 -45.88 68.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 111.437 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.17 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -63.41 -41.67 98.73 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -61.26 -39.65 91.17 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.0 -24.29 60.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.543 0.211 . . . . 0.0 111.071 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -73.24 -46.48 49.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.77 -32.52 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -48.52 73.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -16.48 64.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.46 7.19 47.12 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.675 175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.69 173.24 45.28 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -136.84 179.82 6.14 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.763 -0.846 . . . . 0.0 109.531 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.67 -27.53 69.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -87.27 92.86 9.22 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.244 0.545 . . . . 0.0 110.465 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 C--N 1.318 -0.778 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 171.527 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.117 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.82 12.06 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.105 -0.997 . . . . 0.0 113.013 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -76.48 -16.92 59.55 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.658 -1.276 . . . . 0.0 108.769 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.7 -30.17 71.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.64 -22.9 65.3 Favored 'General case' 0 C--O 1.221 -0.435 0 O-C-N 121.074 -1.016 . . . . 0.0 109.698 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.03 -33.11 61.73 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.61 -35.45 78.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.78 -33.07 74.8 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.621 -0.674 . . . . 0.0 110.856 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.45 -43.27 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.08 -43.45 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -72.16 -30.0 64.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.73 69.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.06 -39.49 92.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.423 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -62.39 -36.11 81.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -68.4 -38.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.546 -0.721 . . . . 0.0 109.252 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.53 95.75 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.198 0.523 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.65 -46.68 88.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.746 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -37.87 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.804 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.89 -51.98 59.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.82 -43.36 80.93 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.271 0.558 . . . . 0.0 111.079 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -47.09 82.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -66.34 -28.49 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -78.09 -16.51 57.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.1 p -114.13 -27.15 7.77 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.903 2.927 . . . . 0.0 118.903 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 -51.52 66.74 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 121.461 3.875 . . . . 0.0 121.461 -168.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 118.345 2.72 . . . . 0.0 118.345 -171.309 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 . . . . . 0 N--CA 1.468 0.475 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -95.96 3.34 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -177.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.8 p -53.27 -40.2 64.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -40.01 95.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.0 -26.91 25.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.33 -51.97 66.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.5 ttp -60.21 -43.7 95.76 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.8 -50.82 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -68.18 -44.48 75.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.463 ' HG3' ' HE ' ' A' ' 76' ' ' ARG . 66.7 ttp -58.9 -43.05 90.96 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.153 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.36 -47.83 75.06 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -60.53 -46.55 89.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 111.755 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.79 -32.05 61.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.865 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.35 -30.26 57.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.116 -0.99 . . . . 0.0 110.711 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.13 -37.88 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.86 98.07 Favored Glycine 0 C--O 1.212 -1.258 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.35 -40.52 96.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.233 1.016 . . . . 0.0 110.118 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -64.47 -34.02 77.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -71.28 -21.22 62.12 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.842 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.55 -30.34 57.04 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -67.26 -44.78 78.53 Favored 'General case' 0 C--O 1.28 2.679 0 CA-C-O 124.422 2.058 . . . . 0.0 106.806 172.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.24 -30.11 70.25 Favored 'General case' 0 C--O 1.179 -2.621 0 CA-C-N 113.056 -1.884 . . . . 0.0 107.854 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.6 p -70.38 -30.96 68.0 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 119.909 1.231 . . . . 0.0 111.338 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.603 HD23 ' HB3' ' A' ' 65' ' ' ALA . 6.3 mt -56.99 -55.57 32.91 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 101.578 -3.49 . . . . 0.0 101.578 172.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.15 -33.6 73.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.64 -35.32 77.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.47 63.21 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.448 HE22 ' CG2' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -66.32 -34.62 78.4 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 116.85 -1.94 . . . . 0.0 112.615 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.18 -46.34 74.24 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.22 -0.925 . . . . 0.0 110.916 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -65.38 -35.18 80.18 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.8 -45.31 93.25 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.534 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 -57.75 -48.83 78.52 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.96 -38.22 90.27 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -69.47 -59.12 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.58 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -49.2 -41.71 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -95.63 -46.3 6.68 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -101.03 -37.98 8.38 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 116.609 2.078 . . . . 0.0 116.609 -168.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 45.89 55.62 6.8 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.1 p -62.59 165.61 6.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.48 -8.15 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.176 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.22 -2.68 22.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.104 -0.372 . . . . 0.0 111.395 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -45.28 -31.13 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -59.14 -25.07 63.55 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -137.27 6.05 2.78 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -13.62 17.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.04 -132.23 0.08 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt 63.07 170.43 0.15 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 110.872 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.13 -31.21 65.11 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.195 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.84 -59.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -26.05 39.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.808 -175.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.6 tp -58.89 -49.69 76.82 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -58.49 -45.57 88.47 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.514 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -66.19 -40.31 90.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.54 -45.37 68.94 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 118.945 0.793 . . . . 0.0 109.625 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.564 ' HB ' HD22 ' A' ' 30' ' ' LEU . 16.9 pt -69.74 -20.04 23.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.189 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -77.1 -32.33 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.45 -0.781 . . . . 0.0 108.979 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -44.64 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.603 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.98 -34.63 76.51 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.566 176.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.2 -29.18 67.97 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.983 -1.073 . . . . 0.0 110.844 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -66.47 -51.85 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.4 -46.37 56.19 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.875 0.369 . . . . 0.0 111.334 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.72 87.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -62.97 -40.49 97.87 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 121.499 -0.751 . . . . 0.0 109.354 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -62.03 -38.19 87.77 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.68 -25.8 59.41 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.825 -0.547 . . . . 0.0 110.457 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -66.98 -48.21 69.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.91 -43.23 91.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.422 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.25 -43.27 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HE ' ' HG3' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.36 -15.07 62.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.979 -0.45 . . . . 0.0 111.46 -178.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -82.15 -5.18 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.63 147.69 32.79 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.67 106.69 9.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.999 -0.707 . . . . 0.0 110.58 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.48 -56.02 0.66 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.785 1.634 . . . . 0.0 110.817 -176.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -162.83 158.78 23.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 . . . . . 0 C--N 1.314 -0.951 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.183 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 . . . . . 0 C--O 1.209 -1.043 0 N-CA-C 110.629 -0.137 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.61 -43.27 12.79 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.31 -17.45 62.46 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.476 1.489 . . . . 0.0 108.817 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -64.58 -33.32 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.9 -28.54 69.6 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -69.33 -45.09 70.31 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -61.73 -34.5 75.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -80.74 -9.21 59.82 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.86 -27.87 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 167.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.71 -36.18 82.87 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.29 -45.76 79.32 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.534 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.69 59.3 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.73 -50.84 72.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -61.98 -35.44 78.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.086 -0.384 . . . . 0.0 111.65 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -62.65 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.22 94.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.52 -46.04 87.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.592 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.16 -38.55 88.36 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.08 -44.34 92.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.01 -23.14 62.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.192 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.59 -46.6 75.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -32.05 72.74 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.581 0.229 . . . . 0.0 110.77 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.16 -19.92 60.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.784 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -110.21 8.61 23.72 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.6 m -69.14 13.31 0.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 30.9 p90 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 178.829 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 . . . . . 0 C--O 1.228 -0.073 0 CA-C-O 120.749 0.309 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.53 -20.08 30.19 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.024 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -76.6 -35.63 58.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.63 1.104 . . . . 0.0 108.041 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -55.74 -54.74 40.64 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.65 -31.18 59.71 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.093 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -61.55 -46.34 90.31 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.9 ttp -62.38 -43.34 99.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.915 -0.491 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -62.47 -46.02 90.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.057 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -66.33 -45.52 79.96 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.6 ttp -57.94 -44.82 87.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.779 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.16 -35.62 78.34 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.205 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -73.47 -41.65 62.9 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.844 -0.535 . . . . 0.0 111.689 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -75.0 -15.06 60.67 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.533 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 20' ' ' LEU . 12.5 mt -81.96 -24.11 35.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.995 -1.065 . . . . 0.0 110.504 171.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 -40.51 91.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 172.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.21 -31.27 76.99 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.696 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.81 -32.96 70.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -72.41 -26.22 61.78 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -68.18 -34.7 76.79 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 119.1 -1.04 . . . . 0.0 108.639 170.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.0 77.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.231 0.923 . . . . 0.0 110.4 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HA ' HD23 ' A' ' 30' ' ' LEU . 27.6 tt0 -65.05 -47.96 75.5 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-O 123.121 1.439 . . . . 0.0 108.154 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.34 -33.27 73.35 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.249 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -69.21 -40.5 77.96 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 119.374 0.988 . . . . 0.0 110.45 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.77 -46.54 89.12 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.055 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -68.86 -36.66 78.38 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 118.918 -1.113 . . . . 0.0 113.424 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -38.09 87.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.7 -51.86 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -43.66 77.59 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 117.684 -1.606 . . . . 0.0 113.746 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.37 -39.21 81.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.244 -0.91 . . . . 0.0 112.327 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' HD13 ' A' ' 107' ' ' LEU . 63.5 mtt180 -75.4 -28.5 59.47 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.915 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.5 -45.43 87.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -57.05 -44.18 82.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.39 -40.35 89.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.589 0.233 . . . . 0.0 111.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.57 91.74 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.8 -59.05 5.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.426 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -48.49 -43.26 34.77 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -174.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -91.21 -46.45 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.95 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -100.99 -35.94 9.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 82.23 -6.14 1.39 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 126.232 1.813 . . . . 0.0 110.628 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 p 65.29 162.14 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.09 -23.02 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -90.17 38.01 0.91 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.682 176.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -51.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -107.97 5.37 26.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.477 0.656 . . . . 0.0 109.821 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -124.04 10.31 8.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.13 -38.58 75.04 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 119.539 -0.267 . . . . 0.0 111.137 -178.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.7 m80 45.88 55.13 7.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -31.71 -51.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.48 -45.23 95.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.456 0.571 . . . . 0.0 111.489 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.19 -42.69 83.77 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.12 96.11 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.51 -44.83 93.16 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.67 -41.97 87.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.503 -0.748 . . . . 0.0 110.799 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.96 -42.92 62.89 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.63 -43.28 73.0 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.275 1.036 . . . . 0.0 110.006 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.98 -28.5 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.7 -33.8 74.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.699 -1.251 . . . . 0.0 110.289 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.49 -41.71 88.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.33 78.39 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.065 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -66.41 -35.52 80.53 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.11 -53.73 51.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.3 -50.14 59.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.53 75.62 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -64.51 -40.33 95.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HE ' ' CD ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -64.5 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -36.54 81.08 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 76' ' ' ARG . 46.9 mtpt -59.22 -52.42 65.78 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.138 0.881 . . . . 0.0 109.303 174.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.05 -32.64 73.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.446 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.04 -42.95 72.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 51.9 mtp180 -61.13 -32.99 72.68 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 122.061 -0.399 . . . . 0.0 110.622 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.84 6.29 6.38 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.819 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.53 -179.56 43.62 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -162.75 -170.35 2.35 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.2 146.31 23.79 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.24 7.15 6.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.208 1.003 . . . . 0.0 112.555 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 N--CA 1.471 0.602 0 C-N-CA 125.494 1.518 . . . . 0.0 113.854 179.128 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 83.2 t80 . . . . . 0 C--O 1.211 -0.922 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -57.33 10.83 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.53 -0.731 . . . . 0.0 111.975 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -73.67 -16.83 61.2 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.87 -1.144 . . . . 0.0 109.841 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.93 -28.06 68.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.469 ' CD ' ' HE ' ' A' ' 71' ' ' ARG . 17.7 mm-40 -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.71 -36.67 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.03 -36.09 83.27 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.968 0.889 . . . . 0.0 109.047 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -77.12 -23.65 51.76 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.416 -0.803 . . . . 0.0 111.549 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -67.83 -44.2 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.88 -41.3 82.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.217 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -75.09 -31.45 61.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.587 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.29 82.33 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.82 -43.22 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.662 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.4 ttt85 -61.88 -37.12 83.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.151 -0.343 . . . . 0.0 111.375 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -66.67 -38.02 85.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.09 84.35 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 109.815 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -57.84 -42.82 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.675 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -73.64 -29.34 62.29 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -66.43 -45.02 81.25 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 36' ' ' ARG . 77.4 mt -64.77 -37.18 86.72 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.966 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.83 -48.0 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.8 p -64.43 -29.15 70.21 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -77.31 -20.76 54.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.888 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -98.94 -12.16 20.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.8 m -73.55 -3.88 30.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 56.5 t90 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.878 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 121.224 0.535 . . . . 0.0 111.304 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -104.53 9.41 35.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 p -56.3 -41.74 76.46 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -43.76 97.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -176.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.97 -33.55 21.09 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -61.43 -44.17 97.59 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.55 -44.2 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.98 -47.31 85.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.606 0.241 . . . . 0.0 110.684 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -68.2 -44.27 76.19 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 ttp -54.96 -45.31 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.165 0.439 . . . . 0.0 110.274 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.73 -52.23 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.604 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.39 -36.7 79.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.64 -31.78 67.22 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.02 -24.16 43.86 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.132 -0.98 . . . . 0.0 111.225 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.23 -39.05 96.72 Favored Glycine 0 C--O 1.224 -0.515 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.48 -40.2 95.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -70.83 -25.15 62.72 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.414 -0.804 . . . . 0.0 110.754 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -73.99 -23.43 59.45 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.385 -0.822 . . . . 0.0 110.009 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.99 64.01 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.77 -42.75 97.72 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-O 122.828 1.299 . . . . 0.0 108.518 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.98 -43.4 98.91 Favored 'General case' 0 C--O 1.179 -2.656 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.388 173.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -58.85 -41.41 86.89 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 120.122 1.328 . . . . 0.0 112.158 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -48.5 65.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.151 0.887 . . . . 0.0 108.774 176.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -72.55 -26.31 61.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 117.418 -1.713 . . . . 0.0 114.801 -177.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.14 -35.58 71.76 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 61' ' ' GLU . 5.0 mt -61.95 -42.8 99.53 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -62.08 -47.52 84.31 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.77 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -44.38 96.85 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.453 0.644 . . . . 0.0 111.208 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.06 -35.72 80.47 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.384 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.16 -46.79 79.44 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -56.43 -47.41 79.13 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.841 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -66.43 -42.81 87.14 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 -34.98 69.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.37 -62.8 1.57 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.772 168.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -51.1 -52.05 47.44 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -167.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -96.03 -34.37 11.78 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.175 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -16.74 20.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 118.105 2.631 . . . . 0.0 118.105 -169.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.21 44.05 2.12 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.867 1.267 . . . . 0.0 114.045 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -102.01 -134.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 173.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 110' ' ' HIS . 10.2 m 42.1 44.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.248 1.019 . . . . 0.0 111.838 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 51.17 61.75 3.08 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.654 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.39 140.82 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 71.05 -41.03 0.49 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.567 1.947 . . . . 0.0 112.446 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -100.73 26.63 6.63 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -55.06 -40.29 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.864 0.866 . . . . 0.0 111.812 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.4 m80 47.72 51.65 13.76 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -29.91 30.6 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.13 -44.07 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.93 0.786 . . . . 0.0 111.114 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.79 -45.34 71.55 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -60.43 -46.79 88.76 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.231 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.92 -46.72 87.26 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -53.99 -49.24 69.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.19 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -76.76 -41.08 46.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -175.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 33' ' ' LEU . 16.9 pt-20 -70.73 -44.86 65.96 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 110.274 -178.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.19 -35.14 67.37 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.97 -48.01 82.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.309 0.959 . . . . 0.0 110.293 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.31 -45.34 93.75 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-O 121.239 0.542 . . . . 0.0 110.274 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.37 73.82 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -73.72 -29.82 62.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.495 -0.753 . . . . 0.0 110.699 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.9 -46.62 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -58.85 -42.82 90.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.163 -1.415 . . . . 0.0 113.904 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -40.74 71.64 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.953 -1.092 . . . . 0.0 112.254 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.9 -41.77 97.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.137 -0.352 . . . . 0.0 110.658 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -60.94 -43.97 97.93 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.55 -35.84 82.02 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.803 -0.561 . . . . 0.0 110.183 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.5 -50.58 69.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.268 -0.27 . . . . 0.0 111.113 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.63 -30.83 66.2 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.41 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.09 -44.61 91.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -33.63 73.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.228 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.16 3.42 17.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.018 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.24 177.51 53.43 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 122.849 1.249 . . . . 0.0 115.5 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 p -113.74 170.68 8.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.562 -0.819 . . . . 0.0 110.932 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.15 77.04 0.96 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -165.06 167.63 18.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 122.042 0.925 . . . . 0.0 109.992 179.79 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . 0.263 0.0 OUTLIER . . . . . 0 C--O 1.201 -1.486 0 N-CA-C 119.463 3.134 . . . . 0.0 119.463 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.47 -61.44 2.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -80.36 -16.98 53.26 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.763 -1.836 . . . . 0.0 108.758 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.34 -28.42 69.28 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 170.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.52 -32.41 73.75 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.26 -32.74 70.71 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.86 -33.46 75.65 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.36 -27.79 63.6 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.493 -0.754 . . . . 0.0 110.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.16 -42.0 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 -61.83 -36.92 82.58 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.83 -40.78 83.73 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.343 0.52 . . . . 0.0 111.787 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.44 -47.26 79.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.72 -45.32 87.06 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.814 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -61.17 -39.8 91.49 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -62.17 -49.01 77.53 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.18 71.44 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -67.19 -36.44 81.76 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.824 -176.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -74.5 -31.91 62.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 118.107 0.412 . . . . 0.0 110.266 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.01 -51.01 63.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -38.61 87.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.958 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.15 -47.47 83.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.43 ' HB3' HG12 ' A' ' 47' ' ' VAL . 91.7 m-70 -78.29 -20.6 51.22 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.986 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -96.11 -3.89 43.78 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 122.045 -0.409 . . . . 0.0 110.519 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m -71.97 10.1 0.79 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.463 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 . . . . . 0 N--CA 1.467 0.423 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -97.37 3.93 50.89 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.4 p -55.83 -33.79 64.8 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 6.2 pttp -53.02 -59.26 4.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.36 0.6 . . . . 0.0 112.355 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -76.38 -33.98 58.89 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 -176.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.64 -50.61 72.58 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -63.65 -50.25 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -58.74 -46.01 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.375 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.38 -45.64 68.82 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.402 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.9 mmt -64.5 -37.56 87.97 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttm -58.48 -53.57 56.87 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -64.65 -43.0 95.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.701 -0.625 . . . . 0.0 111.21 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -19.34 33.16 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.586 -0.696 . . . . 0.0 110.571 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.38 -38.94 91.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 169.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.0 84.44 Favored Glycine 0 C--O 1.22 -0.769 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.123 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.89 -44.38 85.47 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.919 0.866 . . . . 0.0 108.965 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.86 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.53 -20.61 65.77 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.027 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.2 -44.87 35.85 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.26 0.936 . . . . 0.0 110.745 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.96 -41.98 85.98 Favored 'General case' 0 C--O 1.295 3.464 0 CA-C-O 123.991 1.853 . . . . 0.0 108.759 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -58.93 -39.07 80.5 Favored 'General case' 0 C--O 1.18 -2.594 0 CA-C-N 112.968 -1.924 . . . . 0.0 107.184 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -65.28 -30.29 71.15 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 120.234 1.379 . . . . 0.0 112.087 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.83 -58.21 9.42 Favored 'General case' 0 C--O 1.26 1.658 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -71.87 -33.46 68.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 117.184 -1.806 . . . . 0.0 115.51 -172.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -65.63 -37.03 85.41 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.73 -52.9 54.6 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.716 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.87 89.74 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 116.689 -2.004 . . . . 0.0 110.753 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -50.72 72.55 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.136 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.61 -35.06 79.79 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 118.186 0.448 . . . . 0.0 111.376 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.36 -45.4 93.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -65.69 -32.62 74.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.335 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.22 -43.15 78.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.058 0.844 . . . . 0.0 109.247 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.85 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.35 -63.7 1.01 Allowed 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.621 -1.232 . . . . 0.0 108.822 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -52.21 -37.52 55.26 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -172.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.97 -46.39 6.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -97.13 -35.58 10.74 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 -169.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 39.55 51.3 2.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.9 m -51.44 150.39 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.56 -25.19 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.76 23.83 0.64 Allowed 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 112.236 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.08 -28.78 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.319 0.647 . . . . 0.0 112.662 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.86 -21.15 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.424 0.63 . . . . 0.0 111.256 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -116.45 -11.2 11.17 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.761 0.824 . . . . 0.0 111.843 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.0 t -56.93 -39.66 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.105 0.253 . . . . 0.0 111.623 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -143.8 -119.06 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.609 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 52.4 mt 65.48 169.58 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.936 1.294 . . . . 0.0 109.455 -176.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -52.5 -37.37 57.22 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.841 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -62.0 -56.15 22.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -76.25 -32.18 58.73 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.342 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.01 -45.96 91.29 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.368 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -65.05 -40.5 94.85 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.738 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.77 -48.7 80.61 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.436 0.562 . . . . 0.0 112.403 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.49 -48.33 72.96 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.406 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.0 pt -66.59 -28.21 42.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 118.607 -1.237 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.405 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 88.6 m-20 -69.01 -40.54 78.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.142 0.883 . . . . 0.0 110.243 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.69 -47.4 72.52 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.605 0.717 . . . . 0.0 109.642 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.67 91.77 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.118 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 46.9 mtmt -66.1 -28.81 69.1 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.834 -0.541 . . . . 0.0 111.349 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.65 -48.49 66.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 99' ' ' ALA . 32.8 mm-40 -72.76 -20.16 61.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 116.894 -1.922 . . . . 0.0 111.811 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.622 -1.298 . . . . 0.0 109.267 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.76 -35.53 80.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -67.11 -35.55 80.0 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.229 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -38.23 89.75 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.143 -0.973 . . . . 0.0 109.635 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.18 -40.07 90.2 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.648 -0.657 . . . . 0.0 110.17 176.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.65 -33.62 76.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.498 -0.751 . . . . 0.0 110.045 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -58.8 -38.61 78.98 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.117 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -97.79 15.38 23.88 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.238 0.542 . . . . 0.0 110.324 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.73 -88.43 1.36 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 121.305 3.282 . . . . 0.0 121.305 -172.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 t -160.95 164.95 30.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.015 -0.697 . . . . 0.0 112.35 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.45 -37.0 81.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.199 0.6 . . . . 0.0 110.224 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -170.25 167.57 8.49 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.33 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -57.97 6.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.85 -1.156 . . . . 0.0 108.646 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -42.6 95.81 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 95' ' ' GLN . 14.1 pt-20 -75.92 -22.3 56.18 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.586 -1.246 . . . . 0.0 110.274 -175.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.75 -41.15 96.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.53 -27.92 66.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -71.74 -32.2 67.48 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.867 -0.521 . . . . 0.0 110.338 174.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.1 -35.45 58.86 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 CA-C-O 122.422 1.106 . . . . 0.0 108.699 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.73 -31.88 72.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -74.94 -33.85 62.02 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.998 -0.438 . . . . 0.0 110.159 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . . . -55.71 -50.39 70.45 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.1 -45.91 89.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -59.02 -40.04 83.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -64.43 -46.11 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -47.98 83.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.8 -37.98 89.4 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.951 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.31 -34.59 72.9 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.398 -0.814 . . . . 0.0 111.948 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.52 -39.8 89.14 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.819 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -54.93 -52.51 62.74 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -35.63 76.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.07 -20.53 52.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.021 -0.424 . . . . 0.0 111.106 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -103.22 -1.4 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.34 0.656 . . . . 0.0 112.722 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.0 m -58.37 -18.39 27.47 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.6 t90 . . . . . 0 N--CA 1.485 1.299 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 174.198 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -105.81 -20.13 13.54 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.828 0.823 . . . . 0.0 113.1 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -71.24 -37.39 71.98 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -171.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -59.04 5.02 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -85.33 -25.13 27.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.037 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.23 -48.1 81.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 118.26 -1.376 . . . . 0.0 108.613 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.9 mmt -71.58 -34.82 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.679 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -62.04 -45.18 94.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.356 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.95 -45.1 87.17 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -54.62 -47.15 73.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.24 -41.87 93.92 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.85 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -63.41 -40.57 97.55 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.939 0.399 . . . . 0.0 110.116 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.52 -38.28 84.04 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.343 -0.223 . . . . 0.0 110.539 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD23 ' HG3' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -78.61 -27.28 45.47 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.792 -0.763 . . . . 0.0 112.399 179.287 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.12 -41.37 97.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.16 -37.1 92.7 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.21 -44.65 94.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.598 0.699 . . . . 0.0 109.441 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.95 -33.06 71.62 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.565 -0.709 . . . . 0.0 109.984 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -62.56 -34.6 77.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.514 -0.741 . . . . 0.0 109.215 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.73 72.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.898 -0.501 . . . . 0.0 109.733 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.07 -43.11 93.27 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 123.523 1.63 . . . . 0.0 109.032 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -63.29 -30.63 71.74 Favored 'General case' 0 C--O 1.194 -1.857 0 CA-C-N 114.045 -1.434 . . . . 0.0 108.744 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.7 p -69.04 -33.52 73.74 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 119.78 1.173 . . . . 0.0 110.638 175.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.691 HD22 ' HB ' ' A' ' 62' ' ' ILE . 11.2 mt -59.69 -51.99 67.42 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 173.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -73.36 -26.74 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.27 -40.8 90.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HA ' HD11 ' A' ' 107' ' ' LEU . 4.8 mt -61.86 -48.92 78.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.23 -59.38 4.74 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.593 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.88 -46.33 88.34 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -72.53 -22.16 61.07 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 121.49 -0.756 . . . . 0.0 112.08 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.62 -44.32 28.67 Favored 'General case' 0 C--O 1.27 2.178 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -56.65 -43.92 80.81 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 114.639 -1.164 . . . . 0.0 107.9 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.41 -31.81 65.83 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.06 85.17 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.02 -63.92 1.31 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 114.762 -2.775 . . . . 0.0 111.416 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.48 -39.78 80.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -167.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -95.64 -43.08 8.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -96.75 -12.66 23.43 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -166.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 44.88 32.89 0.89 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 170.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -66.56 170.16 6.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 m -62.74 -8.0 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -20.8 62.14 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.538 0.335 . . . . 0.0 111.451 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.3 130.47 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.693 0.282 . . . . 0.0 111.333 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 68.8 -46.4 0.55 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.955 1.702 . . . . 0.0 112.964 -174.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -64.26 -15.39 60.02 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.751 0.82 . . . . 0.0 112.082 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -27.16 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.921 174.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.7 t60 54.56 52.15 12.79 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -175.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.7 tp -32.11 -51.88 0.25 Allowed 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -170.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.98 -47.66 83.82 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.352 0.978 . . . . 0.0 111.113 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -66.76 -39.36 87.85 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.5 -47.32 84.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.89 -48.53 81.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -53.23 -46.22 69.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.07 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -74.94 -44.43 48.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -63.24 -47.9 80.52 Favored 'General case' 0 C--O 1.274 2.383 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.691 ' HB ' HD22 ' A' ' 30' ' ' LEU . 3.9 pt -70.92 -22.01 22.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.466 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.486 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.34 -37.46 80.52 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.869 1.213 . . . . 0.0 109.609 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.42 -45.8 58.0 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 121.458 0.646 . . . . 0.0 109.75 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.55 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.54 -36.62 81.1 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 117.863 -1.535 . . . . 0.0 109.832 177.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -64.66 -31.73 73.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.145 0.578 . . . . 0.0 109.83 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.69 -53.58 49.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' HG2' ' HB2' ' A' ' 99' ' ' ALA . 4.1 mp0 -67.96 -27.41 66.57 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 116.796 -1.962 . . . . 0.0 113.176 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.07 76.49 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.761 -1.212 . . . . 0.0 111.154 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.43 -37.3 86.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.87 -36.35 84.06 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.45 -36.98 84.11 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.764 -0.585 . . . . 0.0 109.836 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.63 -47.31 84.31 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.492 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.96 -39.27 88.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.906 0.384 . . . . 0.0 111.274 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.99 -44.09 90.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HG3' HD23 ' A' ' 20' ' ' LEU . 2.0 tmt_? -62.21 -37.97 87.37 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.056 0.455 . . . . 0.0 110.209 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.25 13.76 4.02 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.436 0.636 . . . . 0.0 110.414 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.48 -128.4 2.02 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.396 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -139.72 167.78 21.32 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.1 -0.647 . . . . 0.0 112.059 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.78 130.52 44.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 p30 57.17 175.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.971 -178.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.5 p90 . . . . . 0 C--O 1.204 -1.295 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.56 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -78.37 -20.12 51.93 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 121.109 -0.995 . . . . 0.0 108.571 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.6 -36.0 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 169.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.2 -25.71 63.55 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.626 -0.671 . . . . 0.0 109.991 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.72 -37.74 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.54 -36.04 81.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -30.86 71.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.676 -0.64 . . . . 0.0 111.533 175.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.32 -35.13 45.62 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -38.06 77.73 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 173.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.75 -25.09 53.08 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 68' ' ' GLU . . . -58.99 -48.93 79.79 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 170.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.34 -41.92 88.86 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.872 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.66 75.33 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.715 -0.616 . . . . 0.0 110.714 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -46.42 89.67 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.97 -51.68 68.24 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.952 0.882 . . . . 0.0 110.229 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.77 -39.55 81.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.325 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.95 -40.02 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.98 -38.16 79.18 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 33' ' ' LEU . 64.4 mt -63.71 -35.46 80.64 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 112.114 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.36 -48.45 81.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.7 p -62.95 -32.91 74.33 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.006 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -78.05 -19.63 53.93 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.787 -0.571 . . . . 0.0 109.997 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p -97.05 -18.61 19.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.255 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.9 m -90.51 -17.49 26.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 8.8 m95 . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.681 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 N--CA 1.473 0.676 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.75 10.63 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.017 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -45.77 -38.98 7.64 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -172.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 5.8 pttp -47.27 -78.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.272 1.034 . . . . 0.0 113.559 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 28.7 tp10 -77.53 -26.4 51.03 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.366 -174.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -66.66 -47.15 73.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.975 -0.453 . . . . 0.0 111.141 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -70.62 -38.28 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -44.64 80.31 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -56.7 16.67 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.712 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -58.53 -35.03 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.72 -50.92 65.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.5 -41.17 84.76 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -64.82 -48.74 73.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.372 0.606 . . . . 0.0 112.169 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.33 -26.03 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -72.8 -25.75 61.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.7 -40.72 85.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 172.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.1 -38.96 88.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -64.2 -37.43 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.645 -0.659 . . . . 0.0 110.051 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.19 -37.13 84.12 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.44 94.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.561 1.073 . . . . 0.0 111.911 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.62 -44.68 81.39 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 123.966 1.841 . . . . 0.0 109.298 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -61.36 -33.08 73.05 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.116 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -68.63 -42.45 78.03 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.581 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -48.43 76.0 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.31 -39.68 89.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.223 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -68.45 -27.53 66.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.6 -51.47 59.41 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -41.41 92.5 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 117.0 -1.88 . . . . 0.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.66 -50.97 70.5 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.658 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.2 -22.13 60.52 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.6 -43.22 56.59 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -59.87 -43.45 94.71 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -59.58 -48.86 79.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.867 0.303 . . . . 0.0 110.56 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.25 83.49 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.34 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 115.227 -2.589 . . . . 0.0 110.219 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -58.69 -39.39 80.6 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -167.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -96.04 -40.81 9.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.092 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -96.84 -9.82 27.87 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 39.55 48.75 1.87 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.5 t -50.74 155.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.719 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.57 -21.26 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.61 0.764 . . . . 0.0 113.015 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -93.15 25.12 3.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.1 137.16 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 69.6 -43.31 0.52 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.215 1.406 . . . . 0.0 112.701 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.94 -32.81 71.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.091 0.556 . . . . 0.0 110.062 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.45 -13.62 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 27.84 87.71 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -39.07 -41.77 0.84 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -175.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.7 -52.43 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.126 0.875 . . . . 0.0 111.765 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.21 -39.62 78.49 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -50.26 74.73 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.855 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.6 -44.91 95.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -56.71 -46.19 81.4 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.268 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -78.56 -33.17 47.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.97 -42.54 60.33 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.537 -0.727 . . . . 0.0 109.867 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.45 -35.92 74.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -63.88 -40.43 96.52 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.909 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.51 -46.76 86.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.58 -31.51 72.59 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.24 0.543 . . . . 0.0 110.96 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -64.52 -35.36 80.72 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.511 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.32 -45.63 69.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.71 -49.89 67.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 120.912 0.387 . . . . 0.0 111.431 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.79 86.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -62.92 -42.46 99.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -62.24 -32.37 73.04 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.175 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.57 -23.18 56.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -72.78 -46.73 51.74 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.128 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.71 -43.37 76.46 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.643 1.211 . . . . 0.0 108.209 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.1 tp -64.43 -46.7 82.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.306 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -22.04 65.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.0 9.76 29.37 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.811 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.05 -172.69 40.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 106.691 -2.563 . . . . 0.0 106.691 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -129.1 -166.9 1.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.43 2.28 0.64 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -155.63 165.86 35.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 122.514 1.15 . . . . 0.0 110.661 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.4 p90 . . . . . 0 C--O 1.208 -1.085 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.04 -56.75 8.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.73 -18.64 60.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.073 -1.017 . . . . 0.0 109.067 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.7 -40.67 88.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.66 -21.35 62.61 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.78 -35.73 70.11 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.81 -36.84 75.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 120.978 -1.076 . . . . 0.0 108.23 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.58 -24.34 62.75 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.893 -0.504 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.07 -40.86 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 172.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 tpt85 -62.51 -33.14 74.29 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.984 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -71.6 -39.02 70.78 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 119.152 0.887 . . . . 0.0 111.161 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.25 72.93 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -42.2 99.7 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.735 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -64.53 -35.32 80.59 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 7.3 tmtt? -64.54 -48.88 73.43 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.36 95.45 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.282 0.563 . . . . 0.0 110.998 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.38 -53.84 53.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.529 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 102' ' ' LYS . 16.3 pttt -71.19 -23.06 61.96 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.246 0.546 . . . . 0.0 112.245 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -70.67 -44.94 66.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.38 -32.86 74.51 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.364 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.27 -47.21 86.96 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -62.85 -30.71 71.71 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -78.2 -20.8 51.16 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.98 -0.45 . . . . 0.0 110.328 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -105.4 4.39 30.71 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.734 0.302 . . . . 0.0 111.274 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.7 m -66.58 -4.06 7.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 124.191 0.996 . . . . 0.0 113.301 174.551 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.726 0.298 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -103.93 17.75 23.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.109 -177.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -54.36 -34.08 60.4 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -59.21 -55.56 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.63 -34.88 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.846 -0.534 . . . . 0.0 110.996 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.06 -42.03 90.02 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.171 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 ttm -67.88 -39.3 83.69 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.53 -0.731 . . . . 0.0 109.849 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -55.5 -48.95 73.8 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -61.45 -54.2 46.56 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.536 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 74.4 mtm -53.42 -55.28 26.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.033 -0.417 . . . . 0.0 111.813 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mmt -61.16 -48.21 82.62 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -81.79 -34.4 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -88.25 -19.26 27.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.518 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 20' ' ' LEU . 86.7 mt -81.78 -23.78 36.38 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 118.907 -1.117 . . . . 0.0 108.337 171.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.19 -42.22 93.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.229 -2.137 . . . . 0.0 105.229 170.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.08 -37.75 95.45 Favored Glycine 0 C--O 1.215 -1.079 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.515 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.54 -39.68 94.22 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.188 0.994 . . . . 0.0 109.576 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.78 -29.98 70.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -22.88 60.83 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.811 -0.556 . . . . 0.0 110.822 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.33 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.485 1.039 . . . . 0.0 108.482 173.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.25 -43.71 98.22 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -59.42 -35.52 74.15 Favored 'General case' 0 C--O 1.176 -2.791 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.486 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -63.65 -41.54 98.21 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.668 1.576 . . . . 0.0 111.818 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -44.92 95.55 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.11 -35.18 76.17 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.865 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -66.36 -39.42 89.15 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 61' ' ' GLU . 3.7 mt -60.4 -57.86 10.98 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.09 90.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 117.206 -1.798 . . . . 0.0 114.018 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -67.06 -43.91 81.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.365 -0.835 . . . . 0.0 111.715 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -70.89 -26.89 63.43 Favored 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.328 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -70.26 -46.02 65.22 Favored 'General case' 0 C--O 1.256 1.401 0 CA-C-O 122.303 1.049 . . . . 0.0 110.03 173.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.77 -36.56 81.4 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.872 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -76.2 -25.57 55.29 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.842 0.353 . . . . 0.0 110.672 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.89 66.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -78.28 -63.64 1.35 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 116.239 -2.184 . . . . 0.0 108.636 168.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.32 -51.24 19.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -170.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.02 -40.73 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.15 0.5 . . . . 0.0 111.133 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -96.96 -12.02 23.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -166.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.6 48.73 3.59 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 m -45.72 137.25 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.263 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 p -55.19 -25.91 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.49 32.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.385 -0.822 . . . . 0.0 111.654 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -53.77 -33.98 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -76.68 -11.24 59.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.342 0.591 . . . . 0.0 112.318 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -144.61 35.83 1.17 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.139 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -60.95 -33.11 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.432 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -153.45 -55.29 0.11 Allowed 'General case' 0 C--O 1.237 0.407 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.7 mt 60.31 -178.36 0.1 Allowed 'General case' 0 C--O 1.25 1.079 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -170.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 28.3 mp0 -62.33 -36.52 82.46 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.715 -0.616 . . . . 0.0 109.508 -176.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.24 -56.28 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.072 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -79.19 -23.71 43.67 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.029 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.69 -46.87 87.84 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -63.41 -35.56 80.83 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.659 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.29 -46.91 75.33 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 33' ' ' LEU . 16.4 pt-20 -63.65 -48.79 75.8 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.8 mt -63.86 -31.69 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.759 -0.588 . . . . 0.0 110.898 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -68.74 -32.39 72.12 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.712 -1.242 . . . . 0.0 110.25 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.26 -40.27 67.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.01 80.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.966 0.889 . . . . 0.0 109.603 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -65.58 -34.95 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.287 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.4 -51.14 55.49 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -49.12 -47.86 45.06 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.92 99.62 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.34 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -65.81 -33.19 75.28 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.162 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 96' ' ' VAL . 5.0 mt -70.99 -28.78 64.69 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -72.2 -43.31 64.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.93 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.64 -36.81 84.76 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.33 -49.28 72.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -16.61 64.08 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -41.14 96.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.44 179.5 27.27 Favored Glycine 0 C--O 1.228 -0.258 0 N-CA-C 119.504 2.561 . . . . 0.0 119.504 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -161.31 165.07 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.25 -0.83 20.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -154.24 131.63 11.24 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.162 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.512 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 t80 . . . . . 0 C--O 1.213 -0.828 0 CA-C-O 119.643 -0.218 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.26 -56.68 11.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 118.351 -1.34 . . . . 0.0 110.486 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.56 -17.49 61.71 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.184 -0.947 . . . . 0.0 110.772 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -61.78 -36.51 81.27 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.28 -29.31 70.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.415 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.04 -39.19 83.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.49 -39.63 88.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.661 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -72.38 -24.81 61.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.787 -0.571 . . . . 0.0 111.334 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' HG ' ' A' ' 72' ' ' LEU . 3.3 t -68.2 -42.08 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.51 -41.67 85.96 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.53 -33.32 71.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.36 75.7 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.96 -37.32 86.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.39 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.28 -38.34 88.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.38 -46.56 82.83 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.75 87.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.056 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.36 -45.38 94.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 0.0 111.272 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.33 -31.88 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.351 0.596 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.28 -41.68 80.68 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.7 -34.58 78.54 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 121.715 -0.615 . . . . 0.0 110.887 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.04 -47.28 83.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -62.9 -32.3 73.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.998 -0.439 . . . . 0.0 110.939 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -78.13 1.79 20.09 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -130.83 2.67 4.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -68.18 -25.45 65.25 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 118.464 0.575 . . . . 0.0 110.415 179.44 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 . . . . . 0 N--CA 1.469 0.498 0 CA-C-O 120.333 0.111 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 2.45 36.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -55.91 -33.37 64.59 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 9.7 pttp -54.16 -72.25 0.06 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 31.6 mm-40 -77.19 -25.55 51.9 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.672 -0.643 . . . . 0.0 109.804 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -64.98 -42.92 94.14 Favored 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.408 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 tpt -67.66 -42.64 81.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.652 0.66 . . . . 0.0 109.745 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -55.71 -52.87 62.4 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.562 0.696 . . . . 0.0 110.258 178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -66.15 -47.89 72.56 Favored 'General case' 0 C--O 1.182 -2.497 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.4 ttp -53.5 -42.26 67.13 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.2 1.364 . . . . 0.0 111.953 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.8 ttm -60.09 -54.42 46.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -70.07 -32.39 70.45 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -73.4 -34.25 65.4 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 20' ' ' LEU . 61.2 mt -84.05 -22.81 31.13 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 119.171 -1.012 . . . . 0.0 110.378 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.4 -48.2 82.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 167.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.29 98.15 Favored Glycine 0 C--O 1.213 -1.196 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.102 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.0 -39.49 89.93 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.325 1.062 . . . . 0.0 108.489 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -76.29 -20.82 56.95 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.297 -0.877 . . . . 0.0 112.198 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -75.35 -26.19 58.37 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.29 62.15 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HA ' HD13 ' A' ' 30' ' ' LEU . 20.7 tt0 -63.54 -43.3 97.5 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 123.488 1.613 . . . . 0.0 107.008 173.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.68 -23.63 65.33 Favored 'General case' 0 C--O 1.188 -2.183 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.239 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.8 p -73.31 -33.96 65.46 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 120.912 1.687 . . . . 0.0 108.572 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.2 mp -59.94 -57.41 12.97 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 172.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -67.44 -35.23 78.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.91 -35.81 77.28 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -60.49 -52.36 65.53 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.151 0.887 . . . . 0.0 109.128 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -44.24 79.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 118.011 -1.476 . . . . 0.0 113.357 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -65.34 -43.48 90.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.712 -0.617 . . . . 0.0 111.214 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -70.21 -30.91 68.12 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.603 -0.686 . . . . 0.0 109.899 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.9 -48.5 68.53 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -61.2 -41.0 96.04 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.53 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.7 -38.24 86.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.054 -0.404 . . . . 0.0 110.401 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.71 86.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.62 -60.33 3.47 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 117.56 -1.656 . . . . 0.0 108.786 171.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.96 -50.86 18.28 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.09 -36.42 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -96.9 -36.29 10.62 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 38.48 51.94 1.7 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 p -62.0 170.84 1.96 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.01 -30.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.86 -15.28 54.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.43 -27.24 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.746 0.703 . . . . 0.0 111.227 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -77.06 -26.48 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.881 0.848 . . . . 0.0 109.501 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -122.46 24.53 9.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -35.06 61.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.836 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.8 m80 48.5 54.75 9.99 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -40.42 -41.93 1.5 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.16 -53.2 61.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.912 1.233 . . . . 0.0 110.209 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.13 -37.27 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.934 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.83 -47.98 64.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.256 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.63 -45.71 88.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -56.4 -45.26 80.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.46 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.51 -38.07 30.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.38 -43.51 77.17 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.075 0.94 . . . . 0.0 108.646 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.76 -34.75 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -65.29 -34.95 79.54 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.845 -1.16 . . . . 0.0 110.979 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.7 -48.44 66.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.54 -33.15 74.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.124 0.964 . . . . 0.0 110.343 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -32.02 73.42 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 121.625 -0.672 . . . . 0.0 110.875 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.89 -42.96 66.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -55.05 -53.69 52.64 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.576 0.703 . . . . 0.0 110.184 172.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.08 87.31 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.243 0.544 . . . . 0.0 112.181 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 26.9 tpt180 -65.68 -38.17 88.52 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.56 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.81 -40.19 91.61 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.22 -40.47 96.11 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.938 -0.476 . . . . 0.0 112.07 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -60.33 -43.29 96.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 110.211 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.75 -33.69 66.51 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.459 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -63.58 -26.2 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -98.01 12.82 33.01 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.472 0.654 . . . . 0.0 110.14 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.17 -128.96 2.68 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 116.255 1.262 . . . . 0.0 116.255 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 163.7 32.01 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.705 -0.88 . . . . 0.0 112.587 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.31 -13.02 57.61 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.44 0.638 . . . . 0.0 111.092 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -75.82 105.45 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.678 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 168.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.5 t80 . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.19 -60.85 2.03 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.52 -14.19 60.78 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.723 1.147 . . . . 0.0 110.214 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.21 -19.14 42.9 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 169.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.577 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -56.86 -51.87 67.34 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.014 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.52 -35.19 79.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.61 -46.33 86.26 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.717 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.13 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.882 -0.511 . . . . 0.0 110.787 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.8 t -60.92 -45.11 98.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -57.95 -45.59 86.42 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.229 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.24 -31.12 68.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.898 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.55 71.59 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.41 -32.49 73.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.092 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.029 -0.42 . . . . 0.0 110.58 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -42.34 93.41 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.66 95.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.38 0.61 . . . . 0.0 111.465 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -59.15 -44.78 92.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -39.96 95.53 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.747 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.86 -46.25 90.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.18 -41.81 84.69 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 120.557 0.218 . . . . 0.0 111.083 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.36 -50.71 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -34.15 73.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -74.64 -17.38 60.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.5 p -112.53 0.47 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.2 m -68.33 -1.72 6.91 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 175.808 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 CA-C-O 118.671 -1.071 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -62.73 143.79 96.63 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 118.308 1.054 . . . . 0.0 109.844 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.62 -15.96 37.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 117.968 -0.888 . . . . 0.0 113.022 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -61.31 -34.3 75.01 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.609 -0.269 . . . . 0.0 111.442 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -62.05 -31.99 72.45 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -80.49 -39.31 28.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -63.41 -37.5 87.52 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 122.054 -0.404 . . . . 0.0 111.531 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.1 2.87 53.55 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.2 p -54.26 -37.27 64.51 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -174.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -44.51 93.54 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -74.79 -40.11 61.33 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -57.85 -50.13 74.36 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.379 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 23.1 ptp -67.44 -36.69 81.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 118.865 0.757 . . . . 0.0 111.961 -178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -64.5 -45.51 86.98 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 119.784 -0.767 . . . . 0.0 110.109 178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HZ1' HD22 ' A' ' 75' ' ' LEU . 22.1 mmmt -65.13 -49.8 68.49 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.422 ' HA ' ' HB2' ' A' ' 76' ' ' ARG . 28.0 ttt -55.07 -49.89 70.51 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -177.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.8 tpt -64.88 -49.22 71.35 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 119.916 -0.714 . . . . 0.0 111.492 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 tmmt? -63.67 -50.72 68.13 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.325 0.583 . . . . 0.0 111.79 -177.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -75.09 -26.97 59.69 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.041 -174.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.12 -30.73 55.35 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 120.239 1.381 . . . . 0.0 111.754 175.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -63.96 -40.46 96.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.92 -39.31 97.2 Favored Glycine 0 C--O 1.212 -1.248 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.964 175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 tt -63.8 -42.56 97.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.367 1.083 . . . . 0.0 109.784 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -64.28 -38.33 90.68 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -68.15 -20.68 64.91 Favored 'General case' 0 C--O 1.209 -1.038 0 C-N-CA 119.863 -0.735 . . . . 0.0 111.724 174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.44 -33.66 60.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 118.973 0.806 . . . . 0.0 109.055 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.65 -44.15 82.66 Favored 'General case' 0 C--O 1.286 2.991 0 CA-C-O 124.089 1.9 . . . . 0.0 107.764 174.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -57.75 -39.98 78.63 Favored 'General case' 0 C--O 1.191 -2.006 0 CA-C-N 112.37 -2.195 . . . . 0.0 107.089 176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.3 p -65.04 -36.18 83.52 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 118.302 -0.856 . . . . 0.0 112.168 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.606 HD22 ' HB ' ' A' ' 62' ' ' ILE . 11.5 mt -54.32 -56.12 21.67 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 103.691 -2.707 . . . . 0.0 103.691 174.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -70.27 -34.39 72.74 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -69.34 -37.4 77.67 Favored 'General case' 0 C--O 1.205 -1.24 0 N-CA-C 108.112 -1.069 . . . . 0.0 108.112 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.65 -51.65 67.59 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -35.07 80.0 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 116.62 -2.032 . . . . 0.0 112.223 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -65.83 -39.05 90.46 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.539 -0.725 . . . . 0.0 110.7 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -66.49 -38.43 87.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 O-C-N 121.938 -0.476 . . . . 0.0 110.037 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 68.0 mt -64.35 -41.64 96.65 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.96 -40.82 81.52 Favored 'General case' 0 C--O 1.203 -1.368 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.299 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 mttm -72.81 -31.76 65.06 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.067 0.848 . . . . 0.0 112.755 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -30.45 71.59 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -79.53 -62.77 1.59 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 118.942 -1.103 . . . . 0.0 109.889 170.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -47.64 -44.6 27.05 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.0 -46.47 6.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -97.39 -30.55 12.87 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 118.4 2.741 . . . . 0.0 118.4 -167.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 80.3 mmt-85 62.92 61.89 1.09 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.35 0.66 . . . . 0.0 111.034 -174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.38 140.47 3.07 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 120.998 0.428 . . . . 0.0 111.477 172.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.6 m -63.94 -13.96 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -175.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HB2' ' HE3' ' A' ' 51' ' ' LYS . 19.7 pt-20 -113.45 22.77 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -43.8 -39.37 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -66.79 -21.91 66.03 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HE3' ' HB2' ' A' ' 48' ' ' GLU . 41.8 mtmt -114.54 -22.18 9.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -175.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -66.66 -15.24 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -174.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -109.16 -124.38 0.26 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 33.4 mt 61.72 168.43 0.11 Allowed 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.547 1.165 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -55.41 -36.22 66.21 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 114.937 -1.028 . . . . 0.0 109.151 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.96 -59.08 5.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.76 -35.56 51.55 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 118.844 -1.142 . . . . 0.0 110.898 -175.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.35 -45.8 89.53 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.541 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.64 -37.97 88.05 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 121.708 -0.62 . . . . 0.0 110.312 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -65.05 -46.71 80.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.947 -0.701 . . . . 0.0 112.071 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -67.59 -43.65 80.02 Favored 'General case' 0 C--O 1.245 0.84 0 O-C-N 121.695 -0.628 . . . . 0.0 110.895 -178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.606 ' HB ' HD22 ' A' ' 30' ' ' LEU . 11.3 pt -70.71 -17.47 20.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 C-N-CA 118.608 -1.237 . . . . 0.0 110.963 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -77.98 -36.61 48.73 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.8 tp -63.74 -48.08 78.47 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.57 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -66.29 -27.04 67.62 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 121.299 0.571 . . . . 0.0 110.658 177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -71.2 -32.36 68.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.043 -1.036 . . . . 0.0 110.008 175.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -66.44 -46.9 74.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 175.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -52.17 -51.3 58.89 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.937 0.399 . . . . 0.0 111.098 171.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -38.33 80.49 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.518 0.932 . . . . 0.0 113.518 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -61.9 -41.57 98.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -73.03 -31.16 64.27 Favored 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 119.691 -0.804 . . . . 0.0 110.532 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -67.29 -36.67 82.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -64.79 -45.63 85.52 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.664 0.745 . . . . 0.0 110.1 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.67 -41.95 96.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.621 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' HZ1' ' A' ' 15' ' ' LYS . 83.4 mt -74.19 -43.14 58.4 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 16' ' ' MET . 1.0 OUTLIER -63.99 -21.23 66.41 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 122.473 -0.142 . . . . 0.0 111.232 -178.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -66.28 -16.1 63.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.95 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.08 80.26 1.4 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 116.97 1.548 . . . . 0.0 116.97 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -73.2 -7.84 53.21 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 64.6 -163.28 0.26 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -69.06 155.61 40.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.248 0.547 . . . . 0.0 112.157 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -79.44 73.95 6.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.781 0.801 . . . . 0.0 112.906 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.54 167.75 8.42 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 106.479 -1.675 . . . . 0.0 106.479 169.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.6 m -52.23 -27.47 14.91 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 116.62 2.081 . . . . 0.0 116.62 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -94.95 -5.77 43.99 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.928 -0.483 . . . . 0.0 111.734 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -115.48 13.4 16.44 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.273 0.629 . . . . 0.0 110.605 -175.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.65 8.19 0.53 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 -178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.82 -6.47 39.4 Favored 'General case' 0 C--O 1.202 -1.4 0 N-CA-C 110.502 -0.184 . . . . 0.0 110.502 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.95 -60.7 2.76 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -78.73 -16.76 56.83 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -64.99 -37.68 88.47 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 170.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -71.81 -24.11 61.67 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.29 -36.58 79.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -69.94 -32.52 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.874 -0.516 . . . . 0.0 109.735 176.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.16 -33.29 67.61 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.865 -0.522 . . . . 0.0 110.117 176.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.27 -45.38 98.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.684 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 173.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -63.56 -25.78 68.4 Favored 'General case' 0 C--O 1.208 -1.091 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.651 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -77.64 -37.08 50.78 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 121.698 -0.627 . . . . 0.0 110.064 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.62 -49.39 77.68 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.2 -44.18 97.7 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.337 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -63.95 -36.23 83.28 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.682 -0.636 . . . . 0.0 110.952 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -65.27 -43.02 92.6 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.64 -45.92 88.02 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.071 0.462 . . . . 0.0 111.356 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -61.72 -39.68 92.38 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 121.906 -0.496 . . . . 0.0 110.223 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -67.35 -36.14 80.8 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.127 -0.358 . . . . 0.0 110.355 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.57 -50.89 69.53 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.98 -42.6 85.45 Favored 'General case' 0 C--O 1.242 0.673 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.309 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.63 -49.11 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -64.69 -32.2 73.76 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -75.25 -21.98 58.19 Favored 'General case' 0 C--O 1.221 -0.399 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.2 p -102.38 -7.64 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.5 m -68.42 -23.57 64.65 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 12.7 m-90 -129.93 118.18 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -150.76 166.55 30.11 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.184 -176.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 O-C-N 124.793 1.308 . . . . 0.0 112.661 -178.743 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 CA-C-O 118.914 -0.937 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -72.6 163.81 64.96 Favored Pre-proline 0 C--O 1.239 0.523 0 CA-C-N 118.155 0.978 . . . . 0.0 108.391 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -57.41 -31.52 91.44 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 117.386 -1.276 . . . . 0.0 113.032 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -63.52 -46.46 85.94 Favored 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.649 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -66.6 -19.45 65.78 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.395 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -80.02 -44.68 19.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 174.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -61.21 -38.84 88.02 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.781 0.801 . . . . 0.0 110.878 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -98.36 12.19 35.67 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.881 -1.054 . . . . 0.0 112.321 -177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.4 p -53.55 -42.37 67.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -43.9 97.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -79.89 -34.07 39.43 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 121.8 -0.562 . . . . 0.0 109.798 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.0 -48.09 83.42 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 177.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.8 ptp -69.08 -33.8 74.11 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 119.566 -0.853 . . . . 0.0 110.193 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -63.55 -45.35 90.92 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -58.18 9.54 Favored 'General case' 0 C--O 1.209 -1.066 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 177.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -48.76 -50.03 35.73 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.9 mtm -65.82 -39.14 90.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.661 -0.649 . . . . 0.0 112.087 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -74.33 -39.55 62.77 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.866 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -68.42 -34.77 76.59 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -79.55 -22.87 43.28 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.899 -0.721 . . . . 0.0 112.017 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -63.49 -42.25 98.55 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.258 -2.497 . . . . 0.0 104.258 170.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.46 -41.0 98.19 Favored Glycine 0 C--O 1.208 -1.511 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.73 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.55 -40.48 97.1 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.695 1.248 . . . . 0.0 109.86 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.0 t60 -64.34 -34.58 78.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.05 -20.71 61.63 Favored 'General case' 0 C--O 1.209 -1.035 0 O-C-N 121.776 -0.578 . . . . 0.0 111.542 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.45 -33.17 62.86 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 30' ' ' LEU . 54.3 mt-10 -65.3 -40.27 93.58 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 123.374 1.559 . . . . 0.0 107.164 173.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -65.62 -26.2 67.72 Favored 'General case' 0 C--O 1.186 -2.252 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.242 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.8 p -75.87 -34.19 60.02 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 120.661 1.573 . . . . 0.0 110.916 177.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 27' ' ' GLU . 4.2 mp -55.13 -56.59 18.21 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 103.226 -2.879 . . . . 0.0 103.226 170.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -67.39 -35.52 79.48 Favored 'General case' 0 C--O 1.213 -0.829 0 N-CA-C 115.653 1.723 . . . . 0.0 115.653 -172.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.94 -37.01 78.6 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 mt -61.91 -55.12 32.9 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -65.75 -38.09 88.17 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 116.9 -1.92 . . . . 0.0 112.697 -179.137 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -69.13 -45.11 70.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.688 -0.633 . . . . 0.0 112.46 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 -70.2 -29.88 66.85 Favored 'General case' 0 C--O 1.214 -0.78 0 O-C-N 121.31 -0.869 . . . . 0.0 109.764 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 tt -67.09 -45.15 78.13 Favored 'General case' 0 C--O 1.253 1.269 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -57.29 -45.51 84.06 Favored 'General case' 0 C--O 1.218 -0.565 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -65.34 -39.06 91.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.594 0.235 . . . . 0.0 110.89 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.62 77.57 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -73.82 -60.67 2.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 116.927 -1.909 . . . . 0.0 109.078 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -49.35 -44.48 44.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -96.1 -44.27 7.39 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -100.53 -3.32 30.93 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 116.014 1.857 . . . . 0.0 116.014 -169.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 70.58 -38.58 0.42 Allowed 'General case' 0 N--CA 1.484 1.271 0 N-CA-C 116.69 2.107 . . . . 0.0 116.69 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 p 68.51 145.25 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.632 1.973 . . . . 0.0 113.62 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.22 -21.64 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.185 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.35 42.26 1.1 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.2 p -51.5 136.38 11.14 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 64.39 -4.67 0.4 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.8 3.91 6.67 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.967 0.507 . . . . 0.0 112.012 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -38.51 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 -170.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -148.63 -60.99 0.24 Allowed 'General case' 0 C--O 1.241 0.611 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.5 mt 57.41 -173.93 0.08 Allowed 'General case' 0 C--O 1.251 1.148 0 CA-C-O 121.819 0.819 . . . . 0.0 109.337 -174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -57.04 -42.7 80.97 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.53 -50.45 72.62 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -78.69 -30.47 46.13 Favored 'General case' 0 C--O 1.215 -0.719 0 C-N-CA 119.081 -1.048 . . . . 0.0 109.747 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 53.4 tp -58.99 -48.73 80.52 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 175.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -59.18 -40.71 86.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.221 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -76.37 -36.17 58.28 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -66.65 -44.24 82.44 Favored 'General case' 0 C--O 1.249 1.037 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 pt -74.3 -18.69 17.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 C-N-CA 118.493 -1.283 . . . . 0.0 111.491 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -69.49 -42.48 74.71 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.9 tp -61.25 -46.82 88.8 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -31.53 70.81 Favored 'General case' 0 CA--C 1.555 1.137 0 CA-C-O 121.985 0.898 . . . . 0.0 111.194 176.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -73.99 -24.51 59.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 120.75 -1.219 . . . . 0.0 111.44 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -71.48 -46.87 58.7 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -52.3 -50.65 61.77 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 173.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.3 -39.43 79.3 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -45.89 92.86 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.841 0.829 . . . . 0.0 108.936 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 95' ' ' GLN . 39.9 mtt180 -62.53 -36.9 84.05 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.592 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.6 mt -70.92 -31.32 67.9 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.22 -0.3 . . . . 0.0 110.697 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -67.02 -46.17 75.29 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -63.53 -39.86 95.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 -177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.38 -45.76 92.99 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -33.25 69.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.285 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -79.33 1.78 23.88 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.11 -0.636 . . . . 0.0 112.022 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -75.5 170.57 54.49 Favored Glycine 0 CA--C 1.523 0.585 0 CA-C-O 121.76 0.644 . . . . 0.0 111.901 175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 t -134.36 -169.06 2.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.755 -0.85 . . . . 0.0 108.811 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 126.01 25.87 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.257 0.223 . . . . 0.0 111.333 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 67.15 143.58 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.552 1.541 . . . . 0.0 114.317 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -74.09 71.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.773 0.796 . . . . 0.0 109.244 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -71.41 -174.56 1.09 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.686 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -51.36 139.93 18.32 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 66.46 -10.16 0.29 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -106.28 13.08 29.23 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -69.25 7.59 0.74 Allowed 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -134.53 8.52 3.63 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-N 117.594 0.179 . . . . 0.0 110.588 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.05 -54.57 43.11 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.594 0.712 . . . . 0.0 109.785 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.49 -36.02 73.58 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 173.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.71 -22.58 64.34 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.5 tp -72.5 -34.69 67.82 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -73.34 -24.85 60.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.305 -0.872 . . . . 0.0 108.934 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 71' ' ' ARG . 95.2 mm-40 -73.68 -26.11 60.57 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.006 -1.059 . . . . 0.0 110.005 173.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.1 -40.42 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 172.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -58.95 -38.58 79.36 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.81 -36.35 75.57 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 176.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.18 78.58 Favored 'General case' 0 C--O 1.244 0.79 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 175.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.5 -38.53 91.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.992 178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.6 ttp85 -64.86 -34.22 77.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.732 -0.605 . . . . 0.0 110.831 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -68.11 -40.52 82.53 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.58 89.58 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-O 121.772 0.796 . . . . 0.0 110.174 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.71 -43.22 94.2 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.093 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.92 -41.06 95.46 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.12 -0.363 . . . . 0.0 110.543 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -63.95 -51.62 63.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 75.9 mt -60.94 -42.95 99.2 Favored 'General case' 0 C--O 1.248 1.016 0 C-N-CA 119.945 -0.702 . . . . 0.0 111.771 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -60.19 -42.65 95.49 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -66.49 -31.15 71.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.02 -20.76 51.9 Favored 'General case' 0 C--O 1.225 -0.236 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.0 p -100.86 -4.86 27.02 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.5 m -63.93 -27.62 69.27 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -152.46 160.86 43.22 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -116.24 10.74 14.93 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.288 0 C-N-CA 124.61 1.164 . . . . 0.0 111.053 -175.01 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.962 0 CA-C-O 117.876 -1.514 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 t 53.62 81.92 0.25 Allowed Pre-proline 0 N--CA 1.478 0.975 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -60.92 -8.85 10.47 Favored 'Trans proline' 0 C--N 1.35 0.641 0 N-CA-C 115.304 1.232 . . . . 0.0 115.304 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -58.55 -41.97 86.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.077 0.465 . . . . 0.0 110.132 178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -64.78 -29.38 70.34 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.177 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -78.83 -42.54 27.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -59.04 -43.54 91.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.592 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -96.96 6.14 49.19 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 p -45.51 -44.8 12.87 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -171.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 10.5 pttp -47.91 -71.64 0.07 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 57.6 mm-40 -81.01 -22.86 39.08 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.756 -174.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -64.39 -48.69 74.48 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.6 -36.63 76.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.205 -0.598 . . . . 0.0 109.777 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -63.71 -38.17 90.11 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 119.608 -0.837 . . . . 0.0 111.01 177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.95 -40.67 68.53 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 121.969 -0.457 . . . . 0.0 109.822 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.2 ttt -58.41 -40.37 82.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.8 ttt -62.72 -47.97 81.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.714 176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -56.16 -51.73 66.92 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.41 0.55 . . . . 0.0 111.162 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -65.24 -38.55 90.73 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.752 -172.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.9 mt -84.85 -25.24 28.19 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -66.28 -36.02 81.9 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.93 -37.46 87.98 Favored Glycine 0 C--O 1.215 -1.051 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.057 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.06 -39.75 95.67 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.266 1.033 . . . . 0.0 108.753 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -66.41 -35.71 80.98 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.53 -31.46 72.63 Favored 'General case' 0 C--O 1.213 -0.851 0 O-C-N 121.405 -0.81 . . . . 0.0 110.305 173.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 -33.2 71.26 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.858 0.754 . . . . 0.0 110.127 176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -65.56 -46.03 81.04 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-O 123.613 1.673 . . . . 0.0 107.042 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -64.58 -18.8 65.21 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-N 114.286 -1.325 . . . . 0.0 110.733 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.7 p -82.02 -34.12 29.73 Favored 'General case' 0 C--O 1.209 -1.029 0 CA-C-N 119.562 1.074 . . . . 0.0 109.436 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.17 -46.98 84.6 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 172.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -67.45 -36.71 81.73 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 118.99 -1.084 . . . . 0.0 113.571 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.27 -40.9 96.93 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 mt -57.97 -53.11 61.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 118.323 -0.846 . . . . 0.0 108.941 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.59 -41.46 79.6 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 117.475 -1.69 . . . . 0.0 114.647 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -67.53 -44.09 79.19 Favored 'General case' 0 C--O 1.243 0.717 0 O-C-N 121.128 -0.982 . . . . 0.0 112.291 -177.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -71.7 -31.17 66.45 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 tp -64.42 -45.91 85.5 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -58.64 -48.0 82.51 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -62.56 -44.58 95.97 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 119.581 -0.848 . . . . 0.0 111.275 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.06 76.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.088 0.471 . . . . 0.0 110.07 -178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.18 2.95 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 118.459 -1.296 . . . . 0.0 108.324 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -57.48 -37.14 72.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -171.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -90.8 -46.09 8.43 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.652 -0.819 . . . . 0.0 112.438 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -98.2 -37.95 9.49 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -170.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 40.05 63.82 1.0 Allowed 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -58.05 166.08 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.649 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.04 -23.38 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -66.7 -14.87 63.04 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -41.82 -35.1 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -171.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -55.97 -34.7 65.96 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 122.213 -0.304 . . . . 0.0 111.729 178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 mmtm -137.47 19.14 2.91 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.44 -15.97 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -176.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -134.49 -121.73 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 122.009 -0.432 . . . . 0.0 109.903 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.3 mt 62.06 177.37 0.13 Allowed 'General case' 0 C--O 1.244 0.781 0 CA-C-O 122.295 1.045 . . . . 0.0 110.853 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.32 -38.47 63.23 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.116 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -65.2 -54.9 22.58 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.161 0.801 . . . . 0.0 113.161 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.01 -30.21 66.36 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 118.412 -1.315 . . . . 0.0 108.972 -177.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 tp -59.28 -51.12 71.32 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 122.052 0.929 . . . . 0.0 109.432 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.34 -36.29 83.21 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 121.239 -0.913 . . . . 0.0 111.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -71.07 -38.91 72.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.41 -42.79 64.73 Favored 'General case' 0 C--O 1.247 0.963 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.69 -31.26 52.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.433 -0.792 . . . . 0.0 109.112 174.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -67.41 -32.44 73.32 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 120.881 -1.137 . . . . 0.0 110.62 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.59 -45.26 72.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.34 75.25 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-O 121.834 0.826 . . . . 0.0 110.138 177.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -64.47 -34.69 78.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.772 -0.58 . . . . 0.0 110.679 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -66.28 -48.61 69.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -54.94 -48.86 72.61 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.576 0.703 . . . . 0.0 110.232 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.91 -36.97 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -43.1 97.14 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.676 -0.64 . . . . 0.0 109.517 178.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.9 mmt-85 -60.52 -38.59 84.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.7 mt -72.11 -31.18 65.8 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 122.16 -0.337 . . . . 0.0 111.731 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.9 -41.85 74.16 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.991 -0.443 . . . . 0.0 110.046 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -63.31 -40.7 98.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.37 -45.84 92.69 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.343 176.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -41.47 78.04 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.932 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -71.34 -5.16 30.42 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.55 -160.56 13.29 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 173.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -155.38 -163.38 1.52 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 105.053 -2.203 . . . . 0.0 105.053 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.36 1.62 1.07 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -149.03 166.27 29.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.979 -2.23 . . . . 0.0 104.979 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -83.37 70.37 10.17 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.883 1.325 . . . . 0.0 110.672 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 ttm105 -59.45 165.52 2.79 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 113.04 -1.891 . . . . 0.0 111.045 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.7 m 52.29 26.43 4.03 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.757 0.823 . . . . 0.0 112.951 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 57.29 30.82 19.1 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.283 0.633 . . . . 0.0 110.671 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.421 ' C ' ' H ' ' A' ' 88' ' ' TYR . 47.7 mt-30 -80.77 58.12 3.22 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 175.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -74.71 26.77 0.09 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.417 1.087 . . . . 0.0 113.197 -176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' A' ' 86' ' ' GLN . 46.3 p90 -136.07 5.24 3.03 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.245 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.78 76.25 Favored 'General case' 0 C--O 1.212 -0.902 0 O-C-N 121.917 -0.489 . . . . 0.0 111.22 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -72.69 -17.63 61.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 118.91 -1.116 . . . . 0.0 110.417 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -70.97 -29.84 65.95 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 173.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -63.17 -32.79 74.27 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -40.27 83.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.006 0.432 . . . . 0.0 110.041 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -62.86 -34.96 78.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -76.93 -17.27 59.02 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.6 t -68.85 -42.4 82.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 170.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.3 mtt-85 -61.0 -39.33 89.29 Favored 'General case' 0 C--O 1.218 -0.567 0 C-N-CA 119.834 -0.746 . . . . 0.0 109.13 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.28 -44.31 83.93 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.426 -0.509 . . . . 0.0 111.047 177.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.26 -49.37 76.28 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.6 mt -63.07 -45.92 89.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -64.11 -33.72 76.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.955 -0.466 . . . . 0.0 111.406 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -67.43 -38.47 84.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.07 81.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -57.31 -49.12 77.13 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -63.08 -32.28 73.61 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.503 . . . . 0.0 111.834 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -68.61 -42.73 77.72 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.37 -34.95 79.52 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.508 -0.477 . . . . 0.0 110.405 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.7 -49.55 77.17 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 174.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -61.89 -31.02 71.27 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -78.04 -16.94 57.63 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 36.6 p -108.95 1.63 20.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.8 m -70.71 13.69 0.17 Allowed 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.905 1.816 . . . . 0.0 115.905 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.31 156.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -174.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -144.88 152.39 40.18 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 103.339 -2.837 . . . . 0.0 103.339 177.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 -179.746 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.15 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -145.54 166.95 15.62 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 101.879 -3.378 . . . . 0.0 101.879 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -56.01 -33.92 90.81 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 116.156 -2.096 . . . . 0.0 113.424 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 55.49 -177.09 0.04 OUTLIER 'General case' 0 C--O 1.243 0.75 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 175.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -60.93 -27.97 68.6 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.699 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -75.43 -40.45 57.62 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.318 -0.553 . . . . 0.0 111.579 -178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -80.84 -9.33 59.83 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 118.133 -1.427 . . . . 0.0 108.973 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -82.13 -20.02 38.87 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -57.54 -33.78 68.47 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -55.84 -56.39 21.21 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.027 0.441 . . . . 0.0 111.505 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -79.29 -37.62 37.31 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.462 -175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -55.0 -53.74 51.96 Favored 'General case' 0 C--O 1.223 -0.338 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.9 mmm -67.68 -41.82 83.06 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.551 -178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -62.98 -47.83 81.46 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 120.397 -0.521 . . . . 0.0 111.39 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -67.66 -49.77 61.17 Favored 'General case' 0 C--O 1.209 -1.031 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.5 ttp -56.97 -38.94 73.71 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.638 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.5 tpp -62.07 -48.07 81.86 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 121.952 -0.467 . . . . 0.0 110.801 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -72.04 -33.74 68.24 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 119.611 -0.836 . . . . 0.0 112.075 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -68.22 -28.15 66.99 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -83.74 -23.23 31.68 Favored 'General case' 0 CA--C 1.507 -0.679 0 O-C-N 121.71 -0.619 . . . . 0.0 112.348 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.87 -41.33 97.78 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 103.833 -2.654 . . . . 0.0 103.833 170.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.14 -37.65 82.13 Favored Glycine 0 C--O 1.209 -1.432 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.585 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -65.77 -37.92 87.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.827 1.314 . . . . 0.0 109.168 179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -67.69 -37.73 82.72 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -60.8 -30.89 70.33 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 119.693 -0.803 . . . . 0.0 110.351 173.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.2 -29.57 64.11 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.687 -0.633 . . . . 0.0 110.635 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -68.55 -44.4 74.59 Favored 'General case' 0 C--O 1.268 2.078 0 CA-C-O 124.311 2.005 . . . . 0.0 106.966 174.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -66.02 -19.34 65.82 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.171 -1.832 . . . . 0.0 109.211 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.5 p -83.54 -26.6 29.98 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 119.723 1.147 . . . . 0.0 109.545 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.491 HD23 ' HB3' ' A' ' 65' ' ' ALA . 12.0 mt -59.75 -55.85 29.1 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 101.519 -3.512 . . . . 0.0 101.519 170.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -66.85 -41.3 87.61 Favored 'General case' 0 C--O 1.243 0.747 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -173.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -61.12 -38.31 85.9 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.6 mt -70.29 -41.81 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 118.043 -0.979 . . . . 0.0 111.54 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -39.88 88.94 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 117.2 -1.8 . . . . 0.0 110.832 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -64.8 -35.25 80.5 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 118.642 -1.223 . . . . 0.0 109.646 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -63.73 -44.18 94.3 Favored 'General case' 0 C--O 1.2 -1.541 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 tp -58.72 -48.8 79.92 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -57.35 -51.97 67.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.648 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -72.76 -29.58 63.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.96 92.9 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -69.16 -60.12 2.56 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 117.763 -1.575 . . . . 0.0 108.031 176.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -48.3 -42.52 31.19 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -95.98 -46.39 6.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -99.63 -38.01 8.9 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 117.72 2.489 . . . . 0.0 117.72 -167.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.537 HH11 ' HB2' ' A' ' 115' ' ' ALA . 5.7 ptp85 33.85 49.82 0.29 Allowed 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.0 p -60.9 176.42 0.4 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 115.073 1.508 . . . . 0.0 115.073 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.55 -12.68 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 115.005 -0.998 . . . . 0.0 113.114 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -73.57 13.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.752 -0.592 . . . . 0.0 111.879 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.406 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -48.87 -33.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.7 -22.1 66.59 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.981 -0.449 . . . . 0.0 111.842 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -105.61 -25.36 12.3 Favored 'General case' 0 C--O 1.219 -0.521 0 C-N-CA 123.403 0.681 . . . . 0.0 111.112 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 50.2 t -65.05 -13.55 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.403 0.681 . . . . 0.0 111.477 179.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -49.18 123.9 8.08 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.6 mt -49.92 -52.79 30.54 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -60.71 -43.96 97.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.356 0.598 . . . . 0.0 110.852 -175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -65.5 -48.94 70.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.368 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -44.4 90.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.644 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.97 -48.3 82.27 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -56.53 -49.99 73.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.297 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -70.29 -39.75 74.68 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -70.4 -44.8 67.22 Favored 'General case' 0 C--O 1.243 0.725 0 O-C-N 121.878 -0.514 . . . . 0.0 111.412 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' HB ' HD22 ' A' ' 30' ' ' LEU . 8.1 pt -74.52 -17.57 16.64 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.981 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -74.6 -33.82 62.7 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 173.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.61 -47.16 70.47 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.491 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.31 -30.69 70.65 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.539 0.685 . . . . 0.0 110.042 177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -66.35 -32.22 73.48 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.342 -0.849 . . . . 0.0 110.766 175.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -67.84 -47.92 67.63 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -53.82 -49.94 67.27 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 110.601 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.69 -38.27 89.71 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -62.93 -42.09 99.69 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -62.11 -44.4 96.73 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.465 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -68.03 -24.88 65.14 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 122.191 -0.318 . . . . 0.0 110.682 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -73.17 -43.48 61.4 Favored 'General case' 0 C--O 1.245 0.842 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 172.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.41 -40.47 96.63 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -178.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -65.28 -40.67 94.19 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -19.2 46.83 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -58.43 -20.35 44.03 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 119.49 -0.884 . . . . 0.0 109.729 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.99 27.89 71.42 Favored Glycine 0 CA--C 1.508 -0.397 0 N-CA-C 117.408 1.723 . . . . 0.0 117.408 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.6 m -65.92 113.79 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.14 4.45 10.3 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -174.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -149.72 135.88 18.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -75.96 55.42 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.8 0.81 . . . . 0.0 111.254 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -63.26 147.31 51.38 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -24.0 -46.52 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 120.79 3.626 . . . . 0.0 120.79 -176.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -59.79 -40.74 89.29 Favored 'General case' 0 C--O 1.214 -0.768 0 CA-C-N 118.912 0.778 . . . . 0.0 111.092 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -125.13 52.61 1.58 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -19.02 65.67 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -91.7 10.71 27.16 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.403 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.2 -56.68 17.95 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -172.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -75.69 -16.81 60.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 120.949 -1.094 . . . . 0.0 109.717 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.43 -24.77 67.74 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 172.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -71.22 -23.45 62.02 Favored 'General case' 0 C--O 1.222 -0.347 0 O-C-N 120.807 -1.183 . . . . 0.0 109.942 175.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.4 tp -77.47 -29.62 52.8 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.98 -40.21 91.02 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 173.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.38 -33.95 77.04 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.847 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.04 -42.7 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -63.42 -35.23 79.72 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.068 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -72.48 -33.85 67.27 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.669 0.668 . . . . 0.0 110.58 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.68 87.94 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 175.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.31 -39.65 95.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.181 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -65.07 -35.96 82.82 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.824 -0.548 . . . . 0.0 110.468 177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -61.66 -45.25 94.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.67 -43.66 98.43 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 120.942 0.401 . . . . 0.0 110.397 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.1 -41.97 99.48 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.46 0.647 . . . . 0.0 111.471 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -67.98 -32.45 72.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.555 0.693 . . . . 0.0 110.335 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -70.18 -36.29 74.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.68 -42.52 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -57.26 -49.84 74.77 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.0 p -65.18 -29.05 69.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.542 0.687 . . . . 0.0 112.163 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.0 -11.25 59.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.136 178.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 68.5 p -128.06 12.09 6.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.5 m -66.8 -5.53 12.58 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 34.3 t-105 -155.6 -177.18 6.37 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -136.66 169.28 17.97 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 123.641 0.776 . . . . 0.0 108.957 -175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.537 ' HB2' HH11 ' A' ' 45' ' ' ARG . . . . . . . . 0 C--O 1.247 0.964 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.541 0 CA-C-O 118.757 -1.024 . . . . 0.0 111.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m 50.42 60.35 15.1 Favored Pre-proline 0 N--CA 1.471 0.611 0 N-CA-C 117.989 2.589 . . . . 0.0 117.989 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -70.04 -39.99 5.38 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 114.612 -3.126 . . . . 0.0 110.628 172.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.34 -170.25 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.471 2.026 . . . . 0.0 116.471 176.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -51.66 -34.89 40.15 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.167 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -58.61 -58.36 8.89 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -79.39 -10.06 59.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.186 -0.947 . . . . 0.0 111.038 -176.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.9 m-30 -86.98 -18.64 30.21 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.559 -0.456 . . . . 0.0 109.943 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.4 m -45.65 -36.95 5.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 -172.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -63.0 1.28 Allowed 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -82.84 -28.27 30.26 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 -176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -56.29 -51.51 67.92 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -40.56 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 121.722 -0.611 . . . . 0.0 111.434 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttm -61.19 -48.68 80.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 120.465 -0.494 . . . . 0.0 112.197 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -69.56 -42.6 74.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 67.5 ttp -59.05 -40.21 84.44 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.5 ttt -62.66 -51.65 66.41 Favored 'General case' 0 C--O 1.209 -1.046 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.51 -39.76 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.086 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -70.18 -36.15 74.45 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.91 -0.494 . . . . 0.0 111.775 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.33 -26.32 38.8 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.55 -35.48 81.12 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 171.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.84 -39.51 89.69 Favored Glycine 0 C--O 1.216 -1.019 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.1 176.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.05 -40.53 96.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.888 0.844 . . . . 0.0 109.244 178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -63.56 -39.74 95.17 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.4 tpt85 -62.52 -28.87 70.15 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.638 -0.664 . . . . 0.0 110.498 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.05 -31.56 68.03 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.915 0.779 . . . . 0.0 110.612 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -67.06 -41.73 85.96 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 124.052 1.882 . . . . 0.0 106.952 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.59 -18.13 65.2 Favored 'General case' 0 C--O 1.2 -1.502 0 CA-C-N 114.291 -1.322 . . . . 0.0 109.834 175.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.6 p -81.08 -35.57 31.55 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 119.271 0.942 . . . . 0.0 111.101 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD22 HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -65.95 -43.08 89.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 103.894 -2.632 . . . . 0.0 103.894 172.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -64.55 -36.79 85.35 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 118.851 -1.14 . . . . 0.0 113.589 177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -46.07 91.03 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.36 -49.91 74.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.676 -0.678 . . . . 0.0 110.597 -177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -40.8 81.18 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.988 -1.485 . . . . 0.0 113.125 177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -49.93 71.59 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.537 -0.727 . . . . 0.0 110.588 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -70.54 -27.18 63.96 Favored 'General case' 0 C--O 1.213 -0.829 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.736 -176.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.96 -47.08 69.61 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 173.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -57.13 -43.82 82.76 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.46 -40.68 89.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.583 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -32.69 74.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -66.9 -61.88 1.72 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 117.445 -1.702 . . . . 0.0 107.305 172.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -50.88 -38.44 49.61 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -173.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -95.78 -46.5 6.56 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -101.11 -19.11 15.91 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -169.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 40.47 44.54 1.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 176.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.5 t -47.67 140.29 6.4 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.3 p -64.44 -6.72 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 CA-C-N 114.028 -1.442 . . . . 0.0 110.053 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -71.75 6.42 1.98 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.59 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.5 ' HA ' ' HB ' ' A' ' 52' ' ' VAL . 12.9 p -47.68 -35.6 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 123.261 0.624 . . . . 0.0 112.662 178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.93 -22.57 67.02 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -101.69 -27.78 12.86 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 49' ' ' VAL . 17.3 t -70.73 -13.13 16.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 CA-C-N 114.704 -1.134 . . . . 0.0 112.083 -178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -41.35 123.8 2.2 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-O 122.753 1.263 . . . . 0.0 113.164 178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.3 mt -36.1 -58.28 0.67 Allowed 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 119.85 3.278 . . . . 0.0 119.85 -166.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -57.82 -54.18 49.85 Favored 'General case' 0 C--O 1.244 0.788 0 CA-C-N 118.812 0.733 . . . . 0.0 112.729 -174.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -62.81 -47.72 82.24 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -57.9 -50.02 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.307 -176.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 60.0 mt -59.17 -49.31 78.33 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -60.92 -39.68 90.3 Favored 'General case' 0 C--O 1.221 -0.42 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.379 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.88 -45.3 51.71 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.58 -44.03 75.25 Favored 'General case' 0 C--O 1.247 0.968 0 CA-C-O 121.743 0.783 . . . . 0.0 110.357 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.423 HG23 HD22 ' A' ' 30' ' ' LEU . 81.6 mt -63.12 -32.3 55.77 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -68.38 -32.25 72.19 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.057 -1.027 . . . . 0.0 111.653 175.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.7 mt -69.09 -46.79 66.89 Favored 'General case' 0 C--O 1.241 0.627 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.64 -31.92 73.24 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.608 0.718 . . . . 0.0 110.989 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -63.72 -37.59 87.92 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.862 -0.524 . . . . 0.0 109.724 175.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -66.62 -46.06 77.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.327 -1.361 . . . . 0.0 107.327 177.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -55.1 -46.78 75.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.204 174.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.77 95.79 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -63.07 -41.54 99.46 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -62.55 -37.87 87.84 Favored 'General case' 0 C--O 1.216 -0.677 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.203 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.89 -27.58 62.94 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.971 -0.456 . . . . 0.0 109.99 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.64 -46.39 47.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.07 175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -67.31 -32.82 74.05 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.276 -0.89 . . . . 0.0 108.983 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.4 tp -61.75 -49.81 74.91 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.544 172.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.42 -13.67 62.23 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -178.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -98.08 -0.01 45.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.996 0.427 . . . . 0.0 110.72 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -114.19 17.34 19.45 Favored Glycine 0 CA--C 1.52 0.406 0 CA-C-N 116.399 -0.364 . . . . 0.0 113.249 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 78.7 p -66.91 129.56 40.29 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 50.17 38.0 16.09 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 122.244 1.021 . . . . 0.0 109.943 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -117.25 -84.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.282 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 46.72 31.51 1.44 Allowed 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.808 0.813 . . . . 0.0 113.097 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -70.41 174.38 5.78 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -50.14 -18.75 0.62 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 118.367 2.728 . . . . 0.0 118.367 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -122.42 8.52 9.62 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.708 0.685 . . . . 0.0 111.061 176.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -129.31 12.82 6.05 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.04 21.37 0.1 Allowed 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -123.97 9.34 8.74 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -176.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.94 -56.52 12.77 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.97 -22.44 64.1 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 119.872 -0.731 . . . . 0.0 110.613 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -63.65 -38.62 91.8 Favored 'General case' 0 C--O 1.217 -0.608 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 173.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.57 -25.57 67.48 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 121.503 -0.748 . . . . 0.0 110.109 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 46.0 tp -71.02 -36.11 72.28 Favored 'General case' 0 C--O 1.241 0.621 0 O-C-N 121.648 -0.658 . . . . 0.0 109.355 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -63.69 -41.19 98.17 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -69.2 -25.04 64.13 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.538 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.2 t -69.57 -40.37 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.2 ttm105 -60.02 -41.58 92.5 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -69.33 -31.07 69.29 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 120.479 -0.488 . . . . 0.0 112.275 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.71 -47.28 75.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.51 -40.64 97.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.484 0.659 . . . . 0.0 110.294 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -60.64 -38.6 85.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.966 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -67.24 -39.75 86.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.98 67.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.099 0.476 . . . . 0.0 110.7 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -63.18 -33.41 75.41 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -77.5 -23.98 50.17 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.926 -1.109 . . . . 0.0 111.731 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -68.25 -42.0 80.31 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -41.91 90.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.389 176.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -57.27 -50.93 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.9 p -62.13 -31.02 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -77.97 -20.25 53.02 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.911 -0.493 . . . . 0.0 111.324 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 p -104.89 0.25 27.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.911 0.386 . . . . 0.0 111.857 -179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.0 m -73.02 9.85 1.08 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -120.95 142.7 49.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -154.01 44.41 0.57 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.215 0.531 . . . . 0.0 110.576 -177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.501 -0.761 . . . . 0.0 110.843 -177.661 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.987 0 CA-C-O 118.82 -0.989 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -66.9 -51.07 40.08 Favored Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.93 148.99 65.2 Favored 'Trans proline' 0 C--N 1.357 0.997 1 C-N-CA 113.252 -4.032 . . . . 0.0 112.184 -178.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -55.89 -36.6 67.82 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -57.41 -34.47 68.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.956 0.407 . . . . 0.0 112.039 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -95.63 -28.62 14.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.976 0.417 . . . . 0.0 110.453 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -59.7 -41.67 91.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -86.88 -14.98 40.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.2 p -60.24 -27.49 67.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -61.66 -55.41 30.78 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -81.35 -27.57 34.87 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.362 -177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -62.27 -51.37 67.99 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.6 tpt -65.28 -38.95 91.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.46 -43.24 97.11 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.62 -47.11 76.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 82.9 mtp -55.69 -48.21 75.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.747 0.308 . . . . 0.0 110.279 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.2 tmm? -63.12 -54.19 41.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.235 -179.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -58.41 -46.68 85.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.913 0.387 . . . . 0.0 111.699 -178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -74.64 -21.71 59.3 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 119.866 -0.734 . . . . 0.0 111.329 -176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD21 ' HD3' ' A' ' 76' ' ' ARG . 14.3 mt -80.64 -29.43 36.74 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.149 -0.969 . . . . 0.0 111.73 173.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -65.25 -39.29 92.46 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 172.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.13 -40.11 97.78 Favored Glycine 0 C--O 1.219 -0.838 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.308 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.32 -39.84 94.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.104 0.952 . . . . 0.0 108.848 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -66.42 -35.56 80.61 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.654 -0.654 . . . . 0.0 110.105 176.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -63.61 -33.39 75.51 Favored 'General case' 0 C--O 1.209 -1.033 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.83 -39.97 83.81 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.493 -0.754 . . . . 0.0 110.794 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' HA ' HD13 ' A' ' 30' ' ' LEU . 68.7 mt-10 -63.97 -43.26 96.31 Favored 'General case' 0 C--O 1.276 2.483 0 CA-C-O 123.693 1.711 . . . . 0.0 108.652 176.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -58.22 -40.74 82.44 Favored 'General case' 0 C--O 1.191 -2.02 0 CA-C-N 113.189 -1.823 . . . . 0.0 107.379 176.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.4 -30.4 69.31 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 119.115 0.87 . . . . 0.0 112.615 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 27' ' ' GLU . 4.7 mp -58.36 -60.58 3.56 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 103.717 -2.698 . . . . 0.0 103.717 173.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.14 -26.58 42.78 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 117.463 2.394 . . . . 0.0 117.463 -170.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -76.27 -29.8 57.58 Favored 'General case' 0 C--O 1.209 -1.029 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.5 -37.89 74.25 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.457 HE22 ' CG2' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -53.71 -57.5 10.61 Favored 'General case' 0 C--O 1.252 1.212 0 C-N-CA 118.887 -1.125 . . . . 0.0 109.526 173.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -62.04 -42.8 99.56 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 119.909 -0.716 . . . . 0.0 112.465 -177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.5 mtt180 -63.6 -41.49 98.31 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 122.082 -0.386 . . . . 0.0 110.617 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.53 -46.48 85.83 Favored 'General case' 0 C--O 1.246 0.892 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -59.95 -43.38 95.05 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 119.244 -0.982 . . . . 0.0 110.623 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -71.11 -35.96 71.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 118.636 0.653 . . . . 0.0 112.188 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.15 86.18 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -59.13 3.0 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 118.71 -1.196 . . . . 0.0 108.006 174.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -46.96 -45.05 20.57 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -172.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -95.99 -46.35 6.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -101.16 -22.52 14.66 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 -168.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 36.23 54.09 0.99 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.3 t -41.53 156.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.37 2.359 . . . . 0.0 117.37 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.56 -18.12 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.258 176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -81.92 18.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.146 -0.346 . . . . 0.0 111.778 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -53.72 -33.55 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.11 -39.54 86.71 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -70.61 -35.87 73.2 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 t -64.25 -14.27 15.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.932 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -38.39 105.0 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 123.156 1.455 . . . . 0.0 114.458 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.1 mt -40.35 -51.11 2.82 Favored 'General case' 0 C--O 1.212 -0.909 0 N-CA-C 120.691 3.589 . . . . 0.0 120.691 -164.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.52 -65.72 0.61 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 119.826 1.194 . . . . 0.0 112.158 -174.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -65.15 -42.41 93.79 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -57.93 -56.27 24.17 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.579 -178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.79 -37.32 87.2 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 119.907 -0.717 . . . . 0.0 109.809 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.11 -46.86 88.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 119.423 -0.911 . . . . 0.0 111.578 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -71.32 -35.14 71.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.031 0.443 . . . . 0.0 111.155 -177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -61.13 -56.53 19.73 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 123.575 0.75 . . . . 0.0 109.907 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 ' CG2' HE22 ' A' ' 34' ' ' GLN . 16.2 pt -68.32 -19.53 24.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.965 0 C-N-CA 119.928 -0.709 . . . . 0.0 112.377 177.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -75.99 -32.77 59.61 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 119.295 0.952 . . . . 0.0 108.664 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -69.84 -45.89 66.82 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 175.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.48 77.35 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 121.741 0.781 . . . . 0.0 109.637 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.63 -32.88 74.48 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 122.901 0.48 . . . . 0.0 111.193 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -65.43 -50.71 64.4 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -53.26 -47.07 69.41 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.982 174.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.68 91.43 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.49 -41.76 98.55 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 51.2 mtt85 -60.85 -43.81 97.84 Favored 'General case' 0 C--O 1.206 -1.197 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -66.06 -33.57 76.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.924 0.393 . . . . 0.0 110.498 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -66.04 -43.77 86.56 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.925 -0.484 . . . . 0.0 110.347 173.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -72.31 -30.71 65.04 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.641 -0.662 . . . . 0.0 110.794 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -39.13 82.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD3' HD21 ' A' ' 20' ' ' LEU . 36.7 ttp180 -60.05 -36.85 78.23 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 175.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -79.75 5.44 13.47 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -88.81 179.37 45.73 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.253 -1.139 . . . . 0.0 110.253 175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.462 HG23 ' H ' ' A' ' 81' ' ' ASN . 6.9 t -148.02 -175.06 4.74 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 121.288 -1.125 . . . . 0.0 110.978 -176.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.52 -21.44 60.22 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.462 ' H ' HG23 ' A' ' 79' ' ' THR . 24.1 t-20 -135.16 120.01 18.47 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.6 -47.61 76.2 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -177.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 58.74 162.74 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 122.172 0.987 . . . . 0.0 111.298 -171.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -52.1 -29.18 20.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -68.28 -38.64 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 178.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -121.13 31.31 6.42 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.947 -171.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -15.89 2.25 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 113.604 0.964 . . . . 0.0 113.604 -179.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -102.83 3.42 36.65 Favored 'General case' 0 C--O 1.198 -1.634 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.87 68.54 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.848 1.658 . . . . 0.0 111.994 -174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -68.57 -22.94 64.44 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.072 -1.017 . . . . 0.0 110.848 178.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -71.27 -36.05 71.58 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 173.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.31 -21.19 61.38 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.8 tp -74.22 -33.53 63.4 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -64.28 -39.01 93.07 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -71.07 -20.87 62.31 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.875 -0.516 . . . . 0.0 112.347 177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.3 t -69.27 -42.04 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 171.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.1 mtt180 -63.83 -33.78 76.44 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -65.25 -46.8 79.11 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 117.965 0.348 . . . . 0.0 110.178 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.12 -51.42 69.37 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-O 121.549 0.69 . . . . 0.0 109.249 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.37 -45.38 93.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.69 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -64.42 -32.79 74.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.831 -0.543 . . . . 0.0 111.475 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -64.32 -44.78 90.5 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.91 91.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.68 0.752 . . . . 0.0 110.525 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.12 -49.18 78.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -65.63 -33.68 76.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.932 -0.48 . . . . 0.0 110.719 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 178.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.81 -44.0 97.3 Favored 'General case' 0 C--O 1.246 0.872 0 CA-C-O 121.151 0.501 . . . . 0.0 110.503 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -58.37 -46.28 86.62 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 91.4 p -67.18 -27.07 66.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.841 -0.537 . . . . 0.0 112.063 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -77.47 -15.19 59.45 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 122.197 -0.314 . . . . 0.0 110.648 177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.9 p -111.55 -14.37 13.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 75.7 m -60.49 -50.55 73.1 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 -174.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -161.59 149.31 14.93 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -128.38 -56.94 1.23 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.374 173.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 116.178 -1.868 . . . . 0.0 106.205 -177.615 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.2 p -69.69 164.76 47.79 Favored Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -56.25 -37.12 97.25 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 116.693 -1.738 . . . . 0.0 113.85 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -63.15 -47.9 80.73 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -59.96 -37.38 79.39 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.895 0.379 . . . . 0.0 110.513 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -63.83 -36.84 85.22 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.594 0.711 . . . . 0.0 109.153 176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -87.01 12.16 11.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.9 p -57.62 -34.92 69.81 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -39.48 92.28 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.659 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -84.18 -29.73 26.37 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -57.9 -46.03 85.57 Favored 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 99.4 mtp -67.46 -43.24 81.53 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 120.362 -0.535 . . . . 0.0 111.606 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -59.75 -47.15 86.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.904 0.383 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -74.71 -30.14 61.43 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.1 ttp -59.91 -44.11 94.49 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 173.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.79 -49.38 76.58 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.506 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -59.46 -53.68 55.32 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.492 0.663 . . . . 0.0 111.943 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -88.15 -15.23 36.63 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 117.274 2.324 . . . . 0.0 117.274 -167.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 20' ' ' LEU . 16.2 mt -85.71 -30.68 22.95 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 118.207 -1.397 . . . . 0.0 108.798 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.27 -35.6 80.82 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 104.482 -2.414 . . . . 0.0 104.482 171.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.51 -37.79 94.89 Favored Glycine 0 C--O 1.213 -1.171 0 CA-C-N 115.307 -0.86 . . . . 0.0 112.103 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 tt -64.59 -41.39 96.27 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.157 0.978 . . . . 0.0 108.48 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -65.95 -35.48 80.72 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -26.58 67.53 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.181 -0.949 . . . . 0.0 110.996 174.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.59 64.92 Favored 'General case' 0 C--O 1.215 -0.736 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HA ' HD13 ' A' ' 30' ' ' LEU . 50.6 tt0 -64.35 -45.1 89.28 Favored 'General case' 0 C--O 1.271 2.192 0 CA-C-O 124.286 1.993 . . . . 0.0 108.016 173.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -65.28 -18.75 65.56 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.483 175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.8 p -77.17 -39.11 50.13 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 119.549 1.068 . . . . 0.0 108.972 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.1 mp -54.12 -56.32 19.21 Favored 'General case' 0 C--O 1.256 1.406 0 N-CA-C 102.585 -3.117 . . . . 0.0 102.585 173.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.415 ' HA ' ' HG2' ' A' ' 34' ' ' GLN . 6.7 m-70 -67.18 -35.35 79.46 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -173.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -65.3 -36.05 82.88 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.041 0.837 . . . . 0.0 109.09 174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -49.9 65.15 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -65.63 -36.6 84.19 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.055 -1.858 . . . . 0.0 111.622 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.37 -44.07 95.82 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.138 0.881 . . . . 0.0 111.078 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HD3' HD13 ' A' ' 107' ' ' LEU . 74.8 ttt180 -64.99 -37.98 89.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.769 -0.582 . . . . 0.0 109.937 179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.5 tp -65.8 -47.17 75.97 Favored 'General case' 0 C--O 1.253 1.258 0 CA-C-O 121.511 0.672 . . . . 0.0 111.114 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -61.24 -42.42 98.59 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -65.83 -40.0 91.39 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 117.893 0.315 . . . . 0.0 111.032 177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.07 97.4 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -64.41 -58.8 5.44 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 117.871 -1.532 . . . . 0.0 110.526 174.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -51.95 -44.06 63.76 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -172.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -88.7 -46.56 8.91 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 119.392 -0.923 . . . . 0.0 112.431 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.52 -38.08 8.13 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 119.211 3.041 . . . . 0.0 119.211 -172.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 28.95 54.56 0.1 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.431 1.082 . . . . 0.0 111.946 -176.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 t -77.13 -128.73 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.386 -171.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 25.6 m -60.88 -13.43 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 120.61 -1.306 . . . . 0.0 109.609 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.07 -33.72 72.45 Favored 'General case' 0 C--O 1.214 -0.811 0 C-N-CA 124.645 1.178 . . . . 0.0 112.204 175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.07 -25.46 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.502 0.592 . . . . 0.0 111.572 -175.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -97.65 -8.15 29.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.251 -0.281 . . . . 0.0 111.592 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -135.23 1.67 2.96 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 117.514 2.412 . . . . 0.0 117.514 -168.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -50.62 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 119.208 0.913 . . . . 0.0 113.201 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.6 m80 49.68 53.03 13.44 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.2 tp -39.72 -44.98 1.64 Allowed 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -169.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -63.15 -48.38 78.69 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.471 -0.768 . . . . 0.0 110.005 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -62.65 -43.98 97.43 Favored 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -58.91 -56.48 21.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.689 0.618 . . . . 0.0 111.369 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 91.6 mt -59.33 -47.37 85.64 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -64.43 -32.4 74.01 Favored 'General case' 0 C--O 1.214 -0.78 0 C-N-CA 119.82 -0.752 . . . . 0.0 112.035 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -75.66 -46.59 30.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 119.099 0.863 . . . . 0.0 111.802 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -62.61 -43.88 97.69 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.7 pt -73.24 -17.64 17.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.46 0 O-C-N 120.857 -1.152 . . . . 0.0 113.637 175.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -73.45 -35.57 65.76 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.2 tp -68.91 -43.57 74.91 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.21 -34.66 73.95 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-O 121.803 0.811 . . . . 0.0 109.994 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -64.58 -30.71 71.74 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 121.589 -0.695 . . . . 0.0 110.373 175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -70.59 -46.37 63.57 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -53.77 -53.11 56.91 Favored 'General case' 0 C--O 1.25 1.094 0 CA-C-O 121.517 0.675 . . . . 0.0 110.269 172.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.26 -38.3 76.67 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -64.3 -38.52 91.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 121.977 -0.452 . . . . 0.0 110.099 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.3 mmt-85 -69.47 -39.32 77.76 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.46 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.07 -38.45 91.1 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 122.027 0.918 . . . . 0.0 108.806 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -65.66 -47.96 73.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.221 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.89 -31.5 72.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.901 -0.499 . . . . 0.0 110.121 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.52 -43.67 89.34 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 50.5 tpt85 -59.95 -30.52 69.14 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.605 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -79.18 -5.62 54.66 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 122.004 -0.435 . . . . 0.0 111.156 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -118.11 -156.55 10.31 Favored Glycine 0 CA--C 1.521 0.419 0 CA-C-O 121.827 0.681 . . . . 0.0 113.577 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.426 HG23 ' H ' ' A' ' 81' ' ' ASN . 10.0 t -165.35 -167.19 1.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.17 4.51 0.33 Allowed 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.426 ' H ' HG23 ' A' ' 79' ' ' THR . 47.8 t-20 -82.08 84.66 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -85.93 31.5 0.62 Allowed 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.359 178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -68.07 157.38 35.36 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -29.59 -41.1 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 120.15 3.389 . . . . 0.0 120.15 -175.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -66.73 -30.63 70.91 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.438 ' C ' ' H ' ' A' ' 88' ' ' TYR . 82.6 mt-30 -132.31 41.48 3.21 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 10.99 0.08 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.438 ' H ' ' C ' ' A' ' 86' ' ' GLN . 3.5 p90 -116.53 25.05 10.87 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 123.374 0.669 . . . . 0.0 111.867 -175.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.61 -56.84 12.7 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 118.291 -1.364 . . . . 0.0 111.806 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.82 -16.84 59.32 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.752 -1.218 . . . . 0.0 109.994 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -58.66 -19.87 43.16 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 170.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.76 -51.93 67.54 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.97 -41.33 97.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.822 0.344 . . . . 0.0 110.216 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -65.64 -39.32 91.31 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.182 -0.607 . . . . 0.0 112.263 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -74.02 -34.31 64.08 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-O 118.751 -0.642 . . . . 0.0 111.611 179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.15 -45.71 98.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -56.45 -50.17 72.48 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.27 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -75.35 -27.92 59.36 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.35 -55.22 22.63 Favored 'General case' 0 C--O 1.245 0.833 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.1 tp -58.55 -43.22 89.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.991 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -62.85 -38.82 92.34 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -64.32 -46.7 82.41 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.82 -47.62 80.07 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.509 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -57.15 -48.4 78.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.174 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -62.84 -40.58 97.87 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.55 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -66.49 -50.22 64.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD13 ' HD3' ' A' ' 36' ' ' ARG . 12.0 mt -60.59 -43.52 97.29 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.44 -53.19 61.1 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -57.45 -43.42 83.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.41 -20.69 50.57 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 118.273 -1.371 . . . . 0.0 111.534 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 85.6 p -90.3 -7.17 54.05 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 60.8 m -67.06 -24.08 65.94 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -174.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 10.4 t-105 -77.37 113.78 15.51 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -61.12 133.61 56.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 -176.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.638 0 N-CA-C 103.696 -2.705 . . . . 0.0 103.696 175.1 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.37 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -31.35 2.4 Favored Pre-proline 0 CA--C 1.55 0.975 0 N-CA-C 120.854 3.65 . . . . 0.0 120.854 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -71.81 162.73 41.11 Favored 'Trans proline' 0 C--N 1.358 1.079 0 C-N-CA 114.819 -2.987 . . . . 0.0 116.382 -173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -54.48 -40.42 68.45 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -61.08 -35.15 76.21 Favored 'General case' 0 C--O 1.219 -0.514 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.518 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.01 -37.78 61.73 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.49 -37.83 85.07 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.314 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 m-30 -86.98 -6.3 58.8 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -56.55 -32.62 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -59.39 -56.44 22.05 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -77.34 -32.76 55.36 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 121.966 -0.459 . . . . 0.0 109.824 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -58.92 -49.0 79.48 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 117.972 0.351 . . . . 0.0 110.099 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 96.9 mmm -69.31 -38.56 78.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.772 -0.58 . . . . 0.0 110.858 179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -60.81 -43.57 98.02 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.311 -0.556 . . . . 0.0 109.72 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -65.76 -46.41 78.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.558 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 10.6 ttt -55.8 -46.09 78.12 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.932 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtm -66.06 -42.24 89.71 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.984 -0.686 . . . . 0.0 111.065 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -65.09 -42.32 94.18 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.123 0.487 . . . . 0.0 111.362 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -79.04 -24.35 43.66 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 20' ' ' LEU . 22.2 mt -79.4 -27.07 41.82 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.262 -0.899 . . . . 0.0 110.669 174.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -62.23 -44.88 95.56 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 104.115 -2.55 . . . . 0.0 104.115 170.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.48 -38.97 95.69 Favored Glycine 0 C--O 1.209 -1.418 0 CA-C-N 115.472 -0.786 . . . . 0.0 112.361 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.38 -41.86 93.31 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.406 1.103 . . . . 0.0 110.22 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -62.46 -35.25 78.72 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 176.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.31 -20.57 60.77 Favored 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.31 65.81 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 170.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -66.65 -41.36 88.37 Favored 'General case' 0 C--O 1.263 1.781 0 CA-C-O 123.4 1.571 . . . . 0.0 107.039 173.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -60.08 -34.75 73.88 Favored 'General case' 0 C--O 1.192 -1.956 0 CA-C-N 114.277 -1.329 . . . . 0.0 108.553 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.0 p -68.6 -41.74 79.14 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 120.086 1.312 . . . . 0.0 112.115 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.74 -50.71 72.78 Favored 'General case' 0 C--O 1.269 2.09 0 N-CA-C 107.193 -1.41 . . . . 0.0 107.193 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -69.42 -29.39 67.11 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 117.434 -1.706 . . . . 0.0 115.319 -177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -70.08 -34.8 73.63 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 173.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -61.64 -47.9 83.29 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.405 HE22 ' CG2' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -71.91 -34.4 69.09 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 116.747 -1.981 . . . . 0.0 114.379 176.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.34 -43.23 91.56 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.868 -1.145 . . . . 0.0 109.148 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -71.67 -19.8 62.03 Favored 'General case' 0 C--O 1.199 -1.595 0 O-C-N 121.48 -0.762 . . . . 0.0 109.698 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 1.7 tp -69.15 -44.77 71.63 Favored 'General case' 0 C--O 1.263 1.812 0 CA-C-N 119.68 1.127 . . . . 0.0 108.196 169.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -43.91 76.73 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.9 -36.17 72.6 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.9 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -83.19 -63.83 1.28 Allowed 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 115.197 -2.601 . . . . 0.0 109.084 173.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 57.2 tt0 -60.41 -40.65 91.78 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -165.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -96.02 -36.49 11.01 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.506 178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -96.79 -37.67 10.18 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 117.694 2.479 . . . . 0.0 117.694 -170.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.3 mtm105 46.73 54.96 8.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-O 121.519 0.676 . . . . 0.0 111.917 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -62.83 169.96 2.91 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.416 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.1 m -57.67 -26.34 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -102.06 19.44 18.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.291 0.478 . . . . 0.0 112.291 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 p -53.9 -27.71 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.58 -29.41 70.01 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.236 0.541 . . . . 0.0 111.822 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -149.1 34.22 0.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -44.95 -53.4 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -175.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.446 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 16.6 m170 -124.16 -60.19 1.44 Allowed 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 111.294 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 tp 61.29 -179.55 0.11 Allowed 'General case' 0 C--O 1.245 0.842 0 CA-C-N 114.504 -1.225 . . . . 0.0 109.143 -174.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -42.35 80.1 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.194 -177.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -58.48 -54.51 46.19 Favored 'General case' 0 C--O 1.221 -0.395 0 C-N-CA 120.167 -0.613 . . . . 0.0 112.326 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.299 -175.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.24 -46.7 85.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 118.356 -1.338 . . . . 0.0 108.225 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -59.46 -39.73 84.59 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.887 -0.508 . . . . 0.0 110.026 178.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -72.66 -41.52 65.32 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -178.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -69.22 -41.26 77.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 109.814 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.417 HG21 HD13 ' A' ' 62' ' ' ILE . 7.1 pt -73.31 -17.61 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 118.341 -1.343 . . . . 0.0 110.209 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.37 -30.67 57.66 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 171.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.5 tp -67.63 -43.79 79.54 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 173.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -37.42 87.42 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-O 121.822 0.82 . . . . 0.0 110.528 175.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -65.4 -31.04 71.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.067 -1.021 . . . . 0.0 109.698 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.13 -48.69 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -51.94 -45.06 64.19 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 122.362 -0.212 . . . . 0.0 110.722 171.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.07 86.8 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -61.84 -42.78 99.46 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -40.56 88.39 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -74.32 -24.09 59.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.984 -0.448 . . . . 0.0 111.31 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -43.94 63.95 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 172.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -63.05 -42.0 99.6 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.43 -42.99 95.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.538 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -16.86 63.57 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.559 -0.713 . . . . 0.0 110.931 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -97.75 7.49 46.31 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.317 0.579 . . . . 0.0 110.086 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.01 152.56 50.31 Favored Glycine 0 CA--C 1.521 0.426 0 CA-C-O 122.227 0.904 . . . . 0.0 114.397 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.5 p -85.53 167.17 15.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -177.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -60.33 -29.72 69.06 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.468 0.651 . . . . 0.0 111.024 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -140.06 128.6 22.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -86.18 35.56 0.65 Allowed 'General case' 0 CA--C 1.552 1.052 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.9 mtt180 -66.8 -176.76 0.53 Allowed 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.222 -0.924 . . . . 0.0 111.964 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.2 m 43.51 63.4 1.56 Allowed 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 68.31 -12.0 0.36 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 115.737 1.754 . . . . 0.0 115.737 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -71.53 4.72 2.84 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 -176.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.91 -23.08 29.47 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.844 0.747 . . . . 0.0 111.85 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 10.7 p90 -61.24 -12.28 12.61 Favored 'General case' 0 C--O 1.206 -1.234 0 C-N-CA 120.279 -0.568 . . . . 0.0 111.086 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.71 -56.43 9.31 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-N 119.272 0.942 . . . . 0.0 110.632 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -71.69 -18.01 62.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.91 -1.119 . . . . 0.0 108.812 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -68.72 -30.52 69.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.12 -26.65 67.55 Favored 'General case' 0 C--O 1.216 -0.672 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.3 tp -73.89 -35.24 64.67 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.335 -0.853 . . . . 0.0 109.635 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.69 -38.23 90.3 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -69.79 -31.52 69.49 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.436 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 17.1 t -62.18 -45.59 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 173.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -59.79 -42.11 92.67 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.72 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -71.75 -29.14 64.19 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.877 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.77 66.02 Favored 'General case' 0 C--O 1.244 0.769 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 174.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.8 -42.11 98.6 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.182 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -63.99 -34.53 78.21 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.21 0.529 . . . . 0.0 111.744 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -65.77 -42.56 90.72 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.79 98.63 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 123.28 0.362 . . . . 0.0 110.168 177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -55.87 -50.84 69.52 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -58.26 -44.16 88.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-O 121.517 0.675 . . . . 0.0 111.18 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.15 -53.81 50.04 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 79.1 mt -61.14 -35.23 76.52 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -60.9 -50.9 71.53 Favored 'General case' 0 C--O 1.246 0.912 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 88.1 p -60.49 -36.17 77.69 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -78.09 -20.59 51.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.294 0.568 . . . . 0.0 110.072 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.4 p -103.46 5.67 37.11 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.3 m -62.44 -11.93 18.83 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 58.4 t90 66.42 158.51 0.12 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -153.05 -47.31 0.1 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 118.119 -0.943 . . . . 0.0 112.485 -178.399 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 CA-C-O 119.002 -0.888 . . . . 0.0 111.362 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.8 t -70.73 146.72 93.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 117.768 0.784 . . . . 0.0 109.785 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -62.64 -37.35 58.07 Favored 'Trans proline' 0 C--N 1.353 0.775 0 N-CA-C 113.627 0.587 . . . . 0.0 113.627 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 55.51 -177.71 0.04 OUTLIER 'General case' 0 C--O 1.245 0.833 0 N-CA-C 115.799 1.778 . . . . 0.0 115.799 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -53.54 -32.18 49.52 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.154 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -54.38 -61.68 2.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.803 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -77.13 -9.52 58.8 Favored 'General case' 0 C--O 1.216 -0.668 0 O-C-N 121.415 -0.803 . . . . 0.0 112.283 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.87 -21.06 28.22 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-O 121.912 0.863 . . . . 0.0 109.884 176.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.4 p -59.99 -39.46 85.82 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 115.825 1.787 . . . . 0.0 115.825 -174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -45.75 91.3 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -82.78 -31.51 28.23 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -63.13 -43.33 98.69 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 118.961 -1.096 . . . . 0.0 109.536 175.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 94.5 mtp -63.28 -39.13 93.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.982 -0.449 . . . . 0.0 109.948 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -64.71 -43.55 93.09 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.677 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -63.11 -51.23 67.35 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -64.76 -26.45 68.36 Favored 'General case' 0 C--O 1.208 -1.118 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.305 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 62.3 ttp -63.87 -44.95 91.56 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 175.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -66.52 -50.17 64.11 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 122.137 0.97 . . . . 0.0 110.366 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.06 -34.02 77.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.932 -1.031 . . . . 0.0 113.263 -171.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mp -88.99 -27.51 20.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 121.407 -0.808 . . . . 0.0 112.99 -175.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.94 -35.0 74.18 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 104.347 -2.464 . . . . 0.0 104.347 173.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.82 -36.45 91.15 Favored Glycine 0 C--O 1.211 -1.34 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 175.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.7 -46.46 88.05 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-O 121.858 0.837 . . . . 0.0 108.973 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -66.15 -35.74 81.28 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.4 mtm105 -66.71 -26.79 67.18 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 121.832 -0.542 . . . . 0.0 111.347 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.58 -35.0 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -68.14 -41.46 81.58 Favored 'General case' 0 C--O 1.272 2.246 0 CA-C-O 123.665 1.698 . . . . 0.0 108.874 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -62.7 -33.45 75.13 Favored 'General case' 0 C--O 1.194 -1.84 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.365 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 p -68.57 -43.65 76.11 Favored 'General case' 0 C--O 1.203 -1.372 0 CA-C-N 119.174 0.897 . . . . 0.0 111.817 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.4 -46.49 89.82 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 176.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -73.34 -24.32 60.35 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 116.206 -2.197 . . . . 0.0 115.021 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.58 -40.21 76.88 Favored 'General case' 0 C--O 1.199 -1.603 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -49.13 75.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -60.4 -57.35 13.15 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 118.864 -1.135 . . . . 0.0 113.382 176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.17 -43.82 97.2 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -174.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -73.45 -34.53 65.45 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.109 -177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.9 tp -71.13 -37.97 72.3 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 119.226 -0.99 . . . . 0.0 108.423 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -57.07 -42.61 80.97 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -71.21 -35.1 71.39 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.57 82.28 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -67.77 -59.06 3.61 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 171.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -45.06 -50.14 11.11 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -171.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -97.44 -40.96 8.43 Favored 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -97.85 -6.21 32.97 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -172.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.0 mmm180 71.26 -34.66 0.31 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.1 m 69.96 126.59 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.884 1.365 . . . . 0.0 109.844 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.15 -35.7 36.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.47 46.0 1.31 Allowed 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.202 -0.936 . . . . 0.0 110.753 177.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.9 p -51.28 -28.32 7.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -67.35 -27.29 67.0 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.769 -0.582 . . . . 0.0 112.428 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -150.14 45.01 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.009 -171.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -44.4 -44.25 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.134 0.574 . . . . 0.0 112.478 -176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -150.8 -55.47 0.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.944 0.402 . . . . 0.0 111.309 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.5 mt 58.25 -175.04 0.08 Allowed 'General case' 0 C--O 1.243 0.728 0 CA-C-O 121.538 0.685 . . . . 0.0 109.225 -176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -56.83 -42.38 79.52 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.471 -178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.19 -56.16 24.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 -28.82 48.79 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.509 -176.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.24 -47.41 86.09 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 107.597 -1.261 . . . . 0.0 107.597 174.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -60.54 -38.0 83.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.708 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -74.08 -33.35 63.62 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.4 -52.02 67.01 Favored 'General case' 0 C--O 1.253 1.255 0 CA-C-O 123.168 1.461 . . . . 0.0 107.812 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.67 -33.73 58.83 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.708 -1.587 . . . . 0.0 109.544 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -68.47 -35.35 77.43 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.668 0.667 . . . . 0.0 111.866 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.82 -48.51 66.03 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.41 -30.52 71.33 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 121.516 0.674 . . . . 0.0 110.328 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -64.86 -34.4 78.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 175.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.9 tp60 -69.21 -48.15 62.83 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -51.28 -48.86 62.12 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 122.654 1.216 . . . . 0.0 111.301 171.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.08 -32.62 73.18 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 115.474 -0.785 . . . . 0.0 112.253 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -62.48 -43.53 98.58 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -61.95 -46.53 88.89 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.291 0.567 . . . . 0.0 109.529 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.13 -29.81 70.7 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.158 0.504 . . . . 0.0 111.292 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -79.9 -32.24 40.22 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.78 -35.04 76.55 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.99 -42.14 76.88 Favored 'General case' 0 C--O 1.248 1.009 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 175.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -56.57 -22.33 32.8 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.308 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -57.38 -30.45 64.9 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 117.758 0.254 . . . . 0.0 110.633 176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.56 31.15 0.04 OUTLIER Glycine 0 C--N 1.331 0.28 0 N-CA-C 117.426 1.73 . . . . 0.0 117.426 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 22.7 m -76.31 128.31 34.62 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 117.705 0.752 . . . . 0.0 111.976 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -103.64 -36.12 8.02 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.811 0.815 . . . . 0.0 109.758 176.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -167.28 -162.77 0.48 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 104.937 -2.246 . . . . 0.0 104.937 -172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.94 58.44 0.15 Allowed 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 122.219 1.009 . . . . 0.0 111.0 173.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -57.31 145.87 30.67 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -52.05 -24.31 6.55 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.954 2.205 . . . . 0.0 116.954 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -77.08 -31.07 55.76 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 117.641 0.201 . . . . 0.0 111.305 177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -125.35 80.47 1.89 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.43 1.5 21.96 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -117.59 21.93 12.69 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 114.185 -1.37 . . . . 0.0 108.978 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.47 -56.63 14.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.188 -0.945 . . . . 0.0 111.944 -176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -74.28 -19.37 60.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -66.18 -32.63 74.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.8 -26.69 67.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.091 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -75.19 -31.14 60.87 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 177.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -69.01 -36.88 78.3 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.42 -26.44 61.85 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.499 -0.751 . . . . 0.0 111.262 176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.49 -42.99 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 174.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -59.18 -42.75 91.6 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -70.31 -32.24 69.91 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.89 -54.0 50.4 Favored 'General case' 0 C--O 1.248 0.997 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.7 tp -60.38 -44.32 95.75 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.013 -179.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -61.13 -40.59 94.36 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.877 0.471 . . . . 0.0 111.654 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.61 -42.36 95.59 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.87 -43.58 75.08 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -56.84 -49.81 74.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.103 -179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -74.93 -18.41 60.4 Favored 'General case' 0 C--O 1.22 -0.453 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -73.45 -48.83 30.55 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 174.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -36.21 83.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.888 -0.725 . . . . 0.0 109.847 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.24 -47.45 83.5 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.6 p -63.54 -31.34 72.48 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 122.281 -0.262 . . . . 0.0 111.652 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -73.9 -24.79 59.75 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 120.132 -0.627 . . . . 0.0 110.569 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.6 p -92.94 -12.34 31.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.807 0.337 . . . . 0.0 111.777 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.2 m -75.15 -11.48 60.09 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 -177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -140.83 129.27 22.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.294 0.569 . . . . 0.0 112.505 -178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -83.03 151.84 25.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.339 -178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.451 -0.785 . . . . 0.0 110.986 178.662 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 CA-C-O 118.869 -0.962 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 p -72.26 149.94 91.83 Favored Pre-proline 0 C--O 1.24 0.601 0 CA-C-N 118.349 1.074 . . . . 0.0 110.466 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -63.49 161.39 31.6 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 120.302 0.668 . . . . 0.0 112.657 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -49.42 -50.8 39.08 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -60.52 -33.76 73.11 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -85.36 -39.74 17.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.275 0.56 . . . . 0.0 109.822 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -61.94 -41.87 98.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.418 -177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -108.11 31.29 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.837 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 p -52.87 -32.13 43.24 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.114 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -68.48 0.19 Allowed 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 175.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.22 -28.94 53.97 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.903 -0.498 . . . . 0.0 110.55 -177.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -60.9 -47.53 85.99 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 119.883 -0.727 . . . . 0.0 110.606 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.2 mtm -71.4 -40.88 70.25 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.75 -0.594 . . . . 0.0 109.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -56.59 -48.29 77.72 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.626 0.25 . . . . 0.0 110.457 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.7 tttp -66.35 -47.49 73.28 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.9 ttp -53.83 -46.61 71.24 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.099 0.409 . . . . 0.0 111.051 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.5 mtm -64.03 -40.27 95.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.096 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -72.53 -37.26 68.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.311 -0.556 . . . . 0.0 112.454 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.08 -39.53 90.12 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.9 mt -78.09 -22.8 48.46 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.164 -0.614 . . . . 0.0 112.073 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.86 -37.09 86.45 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 171.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.55 -37.58 85.38 Favored Glycine 0 C--O 1.212 -1.271 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.179 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.27 -41.31 96.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.363 1.082 . . . . 0.0 109.586 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -64.35 -34.03 77.21 Favored 'General case' 0 C--O 1.211 -0.961 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 174.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.8 ttm105 -68.92 -23.02 64.12 Favored 'General case' 0 C--O 1.207 -1.139 0 O-C-N 121.139 -0.976 . . . . 0.0 111.38 175.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.96 -32.76 63.61 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -65.72 -45.42 82.78 Favored 'General case' 0 C--O 1.274 2.35 0 CA-C-O 123.819 1.771 . . . . 0.0 108.325 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -59.48 -36.28 75.72 Favored 'General case' 0 C--O 1.19 -2.074 0 CA-C-N 114.001 -1.454 . . . . 0.0 107.801 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 p -67.43 -38.23 84.24 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 119.271 0.941 . . . . 0.0 113.052 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -45.5 77.17 Favored 'General case' 0 C--O 1.249 1.027 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 176.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -66.75 -38.99 87.74 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.977 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.38 -36.09 82.55 Favored 'General case' 0 C--O 1.198 -1.61 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -65.83 -43.73 87.71 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 118.514 -0.755 . . . . 0.0 111.513 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -36.81 82.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 117.148 -1.821 . . . . 0.0 109.347 174.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.2 -32.19 73.68 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 119.372 -0.931 . . . . 0.0 110.815 176.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -72.74 -29.22 63.16 Favored 'General case' 0 C--O 1.206 -1.208 0 O-C-N 121.862 -0.524 . . . . 0.0 110.008 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.45 -46.5 66.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -54.29 -49.46 69.55 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 176.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -62.26 -43.52 98.64 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.635 0.255 . . . . 0.0 111.638 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.18 76.75 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -77.44 -63.96 1.25 Allowed 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 115.997 -2.281 . . . . 0.0 108.911 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -52.91 -43.88 66.55 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 114.943 1.46 . . . . 0.0 114.943 -168.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -95.78 -39.06 10.05 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.78 -33.99 11.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -168.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 36.11 50.65 0.72 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 176.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -67.1 -179.48 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.124 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.6 m -58.82 -16.46 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.95 -0.469 . . . . 0.0 111.87 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -83.87 -9.67 58.58 Favored 'General case' 0 C--O 1.216 -0.688 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.85 -32.37 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -176.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -82.36 -38.19 24.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.913 0.863 . . . . 0.0 110.3 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -97.73 21.99 9.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.491 -0.777 . . . . 0.0 113.033 -173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -58.7 -34.04 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.1 m80 47.85 54.28 10.19 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 tt -38.1 -42.25 0.64 Allowed 'General case' 0 C--O 1.213 -0.849 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -59.6 -49.18 78.78 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.902 0.858 . . . . 0.0 111.716 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -69.49 -37.42 77.22 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.169 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -46.79 79.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.192 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.81 -44.96 96.19 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -55.57 -45.01 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.229 -0.588 . . . . 0.0 112.082 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -82.64 -30.99 28.98 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -69.38 -43.64 73.14 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.97 -33.21 62.04 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 175.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -67.05 -36.02 81.13 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.399 -0.813 . . . . 0.0 110.686 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.92 -48.32 71.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 176.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.81 76.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.324 0.583 . . . . 0.0 110.357 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 121.994 -0.441 . . . . 0.0 110.851 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -63.99 -52.92 57.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -52.17 -45.27 65.03 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.309 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.55 92.38 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -63.28 -41.36 99.0 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.16 -39.08 93.24 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.95 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.41 -33.4 72.94 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.585 -0.697 . . . . 0.0 109.834 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.62 -48.09 76.17 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -70.17 -31.63 69.2 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.764 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.8 tp -60.45 -46.39 90.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.34 -33.31 73.41 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.552 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -84.88 5.74 27.65 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.477 0.656 . . . . 0.0 110.395 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -155.96 13.39 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.905 176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 p -135.22 165.13 26.13 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -73.68 11.59 0.81 Allowed 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -160.71 143.03 12.71 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -74.07 47.53 0.28 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -60.76 144.17 52.93 Favored 'General case' 0 C--O 1.217 -0.619 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.6 -33.75 0.5 Allowed 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 118.816 2.895 . . . . 0.0 118.816 -173.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -63.78 -33.04 74.77 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 118.334 0.516 . . . . 0.0 111.118 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 28.9 mm100 -129.34 50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -58.55 -27.0 64.15 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.312 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -97.47 19.73 12.87 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -175.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.45 -59.5 3.94 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 118.822 -1.151 . . . . 0.0 112.511 -174.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -73.84 -18.36 60.95 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 120.452 -1.405 . . . . 0.0 109.377 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -67.5 -34.06 76.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -66.67 -34.12 77.15 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.493 -0.928 . . . . 0.0 108.493 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.0 -33.63 74.97 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -65.23 -39.87 93.33 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -72.48 -25.24 61.34 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.739 -0.601 . . . . 0.0 111.146 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.38 -42.95 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -60.96 -38.15 84.89 Favored 'General case' 0 C--O 1.211 -0.962 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -71.82 -30.67 65.74 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 118.549 0.613 . . . . 0.0 111.998 177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.58 -51.71 66.27 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 173.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.9 tp -59.7 -34.29 72.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.127 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -69.17 -32.5 71.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.0 -0.438 . . . . 0.0 111.855 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -63.91 -42.3 97.45 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 105.744 -1.947 . . . . 0.0 105.744 175.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.38 90.88 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 120.011 -0.676 . . . . 0.0 111.257 176.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.21 -47.28 86.84 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 122.774 0.429 . . . . 0.0 111.441 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -68.9 -32.94 72.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.218 0.532 . . . . 0.0 110.721 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -65.05 -42.76 93.94 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.56 -38.52 90.4 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -58.74 -50.2 74.8 Favored 'General case' 0 C--O 1.247 0.933 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.3 p -60.3 -35.93 76.71 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.862 0.363 . . . . 0.0 111.211 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -78.07 -3.54 42.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.677 0.275 . . . . 0.0 111.716 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.8 p -126.87 7.28 6.7 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.701 0.4 . . . . 0.0 111.534 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 67.2 m -69.05 5.73 1.11 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.437 1.643 . . . . 0.0 115.437 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.9 m95 61.47 -152.45 0.37 Allowed 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 67.68 151.28 0.07 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.035 1.734 . . . . 0.0 112.745 -175.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.839 0 N-CA-C 103.786 -2.672 . . . . 0.0 103.786 -179.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.7 0 CA-C-O 118.27 -1.294 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.0 m -118.1 84.85 22.71 Favored Pre-proline 0 N--CA 1.467 0.419 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -70.67 -12.56 31.36 Favored 'Trans proline' 0 C--N 1.349 0.558 0 N-CA-C 113.574 0.567 . . . . 0.0 113.574 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -60.18 -32.61 71.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.154 -0.341 . . . . 0.0 111.517 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -66.96 -31.2 71.61 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 121.68 -0.637 . . . . 0.0 110.261 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -77.63 -37.37 50.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.53 -38.1 86.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.284 0.564 . . . . 0.0 110.724 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -102.8 15.16 30.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.54 -178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.6 p -55.46 -37.28 67.56 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -42.69 99.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 111.51 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -76.66 -39.7 51.36 Favored 'General case' 0 C--O 1.213 -0.846 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -59.77 -41.22 90.6 Favored 'General case' 0 C--O 1.215 -0.739 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.271 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.5 ttm -66.25 -49.12 68.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.733 0.242 . . . . 0.0 110.497 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -58.92 -49.85 76.26 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-O 121.362 0.601 . . . . 0.0 110.356 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -61.98 -55.6 27.68 Favored 'General case' 0 C--O 1.195 -1.815 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.432 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.0 ptt? -58.44 -35.51 72.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.946 1.248 . . . . 0.0 111.569 -177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.8 tpp -60.53 -49.41 77.64 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 120.569 -0.453 . . . . 0.0 110.233 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -83.77 -31.24 26.05 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -72.08 -36.35 69.51 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.67 -22.09 32.22 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.545 -0.862 . . . . 0.0 110.91 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -63.14 -39.99 96.28 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 104.297 -2.483 . . . . 0.0 104.297 169.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.75 -37.53 92.43 Favored Glycine 0 C--O 1.218 -0.869 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.636 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.59 -40.76 96.1 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.431 1.115 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -67.54 -36.11 80.36 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -61.88 -31.48 71.77 Favored 'General case' 0 C--O 1.209 -1.063 0 O-C-N 121.747 -0.595 . . . . 0.0 109.498 173.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.49 -30.74 63.33 Favored 'General case' 0 C--O 1.215 -0.759 0 O-C-N 121.513 -0.742 . . . . 0.0 110.906 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . 51.5 tt0 -67.47 -45.07 77.0 Favored 'General case' 0 C--O 1.276 2.478 0 CA-C-O 124.236 1.969 . . . . 0.0 107.301 174.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -59.11 -33.26 70.63 Favored 'General case' 0 C--O 1.191 -2.021 0 CA-C-N 112.667 -2.061 . . . . 0.0 107.715 174.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -72.11 -31.03 65.66 Favored 'General case' 0 C--O 1.203 -1.364 0 CA-C-N 119.568 1.076 . . . . 0.0 112.06 178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 27' ' ' GLU . 5.7 mp -59.56 -55.7 31.21 Favored 'General case' 0 C--O 1.256 1.442 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 171.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -68.3 -31.72 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -69.43 -36.12 76.35 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -62.45 -51.13 68.71 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -37.39 84.31 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 117.266 -1.774 . . . . 0.0 112.478 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -48.01 80.04 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.665 -0.647 . . . . 0.0 111.365 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.28 -35.58 78.07 Favored 'General case' 0 CA--C 1.511 -0.552 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.181 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.7 tp -62.23 -49.08 77.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -61.01 -44.73 96.98 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.04 -49.09 79.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.964 0.411 . . . . 0.0 110.465 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.62 69.84 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.79 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -69.23 -61.07 1.94 Allowed 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 117.355 -1.738 . . . . 0.0 107.204 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -54.03 -36.26 62.85 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -171.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.96 -46.26 6.6 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -99.91 -17.67 17.47 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 68.0 -13.27 0.28 Allowed 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.1 p 65.94 153.59 0.07 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.53 1.532 . . . . 0.0 114.492 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -74.13 -13.1 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -83.47 14.65 3.54 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.168 -0.923 . . . . 0.0 110.234 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -29.94 -47.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 N-CA-C 118.612 2.819 . . . . 0.0 118.612 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -64.57 -25.24 67.89 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.68 64.73 0.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -44.5 -52.33 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.528 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 5.2 p80 -148.73 -72.81 0.19 Allowed 'General case' 0 C--O 1.239 0.524 0 N-CA-C 117.024 2.231 . . . . 0.0 117.024 -178.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.528 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 53.7 mt 56.88 -170.9 0.09 Allowed 'General case' 0 C--O 1.254 1.32 0 CA-C-O 122.014 0.911 . . . . 0.0 111.398 -176.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.01 70.14 Favored 'General case' 0 C--O 1.206 -1.195 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.175 -177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -57.93 -56.07 26.79 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -72.4 -33.54 67.25 Favored 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 118.637 -1.225 . . . . 0.0 110.708 -177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.2 mt -60.45 -44.82 95.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.435 176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -65.12 -38.29 90.19 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.09 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -74.95 -29.8 61.03 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -77.31 -40.88 42.74 Favored 'General case' 0 C--O 1.248 0.995 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 175.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.5 mt -59.71 -35.08 57.74 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 170.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -67.48 -34.01 76.29 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.728 1.149 . . . . 0.0 110.709 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -51.27 67.13 Favored 'General case' 0 C--O 1.246 0.916 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 176.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.36 -35.5 81.16 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.924 0.869 . . . . 0.0 111.516 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -65.46 -36.29 83.44 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.78 -0.575 . . . . 0.0 110.183 177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -67.32 -47.29 70.95 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -52.31 -56.17 16.57 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 120.874 0.368 . . . . 0.0 111.055 171.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 -42.47 83.76 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -63.87 -40.96 97.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.831 -0.543 . . . . 0.0 109.548 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 mtm105 -68.78 -31.32 70.25 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.302 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.1 mt -71.04 -31.07 67.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 118.527 0.603 . . . . 0.0 109.76 175.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -67.34 -44.43 79.08 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 172.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -64.63 -34.03 77.33 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.005 0.431 . . . . 0.0 109.921 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.9 tp -64.82 -45.36 86.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.449 0.643 . . . . 0.0 109.987 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.3 tpt85 -59.1 -31.09 68.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.296 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -76.42 -6.64 52.54 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.96 163.62 54.93 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 121.179 -0.534 . . . . 0.0 113.928 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.0 t -135.14 116.2 14.25 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 115.713 1.746 . . . . 0.0 115.713 -178.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.48 -47.63 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 120.843 3.646 . . . . 0.0 120.843 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -152.22 167.17 29.46 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 119.698 1.135 . . . . 0.0 113.237 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.88 10.46 9.64 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 118.038 2.607 . . . . 0.0 118.038 -175.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -74.79 -179.57 4.26 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.537 -1.352 . . . . 0.0 108.881 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.6 m 47.15 53.48 10.65 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 57.44 13.22 1.72 Allowed 'General case' 0 N--CA 1.482 1.125 0 N-CA-C 116.23 1.937 . . . . 0.0 116.23 -177.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -79.53 12.42 2.51 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 118.683 0.674 . . . . 0.0 111.223 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -60.68 -22.28 63.74 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -57.86 -22.05 46.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.844 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.74 -61.46 2.06 Favored 'General case' 0 C--O 1.212 -0.906 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -77.93 -16.86 57.85 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 120.644 -1.285 . . . . 0.0 108.534 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.71 -34.0 75.01 Favored 'General case' 0 C--O 1.215 -0.747 0 N-CA-C 107.113 -1.439 . . . . 0.0 107.113 171.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.49 70.94 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 119.33 -0.948 . . . . 0.0 109.434 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.14 -36.51 82.03 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.12 -39.38 93.92 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -71.12 -23.01 62.01 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.594 -0.691 . . . . 0.0 111.512 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.7 t -70.16 -41.43 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 173.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.4 -38.39 83.84 Favored 'General case' 0 C--O 1.216 -0.678 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 178.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -71.87 -31.76 66.79 Favored 'General case' 0 CA--C 1.551 0.985 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.39 73.78 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.25 -33.27 75.58 Favored 'General case' 0 C--O 1.214 -0.813 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.909 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 -68.16 -35.2 77.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 111.147 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -66.2 -41.21 90.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.79 96.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.01 -49.43 76.88 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.432 0.693 . . . . 0.0 109.689 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -61.21 -42.98 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.26 -44.24 95.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.06 -42.53 98.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.806 -0.179 . . . . 0.0 110.702 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -58.85 -49.92 75.91 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 p -61.56 -34.05 74.91 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.055 0.455 . . . . 0.0 111.859 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.01 -20.74 51.94 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.379 -0.528 . . . . 0.0 110.256 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.6 p -95.05 -13.04 25.54 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.4 m -68.41 9.83 0.3 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.572 2.434 . . . . 0.0 117.572 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 30.22 101.2 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -105.6 -43.55 4.9 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.985 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 177.209 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.923 0 CA-C-O 118.787 -1.007 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 t -70.8 140.87 86.69 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -63.3 155.02 64.36 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 118.197 -0.736 . . . . 0.0 113.032 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -59.45 -36.24 75.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.089 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -55.25 -42.46 73.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.949 0.404 . . . . 0.0 111.084 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -80.61 -38.64 28.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.723 0.297 . . . . 0.0 110.65 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -59.26 -40.41 85.95 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.22 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -98.59 4.82 48.14 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 p -45.72 -43.1 12.53 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -170.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HD2' ' H ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -58.62 -56.13 26.14 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 -178.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 60.6 mm-40 -79.0 -27.42 43.33 Favored 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.952 -0.467 . . . . 0.0 109.856 -177.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -60.8 -49.14 78.7 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 176.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.04 -42.42 89.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.72 0.295 . . . . 0.0 110.586 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -63.4 -40.39 97.09 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.281 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -64.95 -51.35 62.31 Favored 'General case' 0 C--O 1.214 -0.784 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -55.32 -39.71 70.29 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.442 0.464 . . . . 0.0 110.536 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.0 ttt -63.46 -47.37 82.12 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.307 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -60.63 -42.98 97.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.662 0.268 . . . . 0.0 110.284 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -65.74 -43.86 87.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.006 0.432 . . . . 0.0 110.733 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.77 -26.29 54.34 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.9 -35.35 80.39 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.13 -38.83 88.51 Favored Glycine 0 C--O 1.212 -1.26 0 CA-C-N 114.909 -1.041 . . . . 0.0 110.691 175.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.01 -41.08 97.58 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.158 0.979 . . . . 0.0 109.385 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -63.04 -39.26 94.2 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 175.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -65.29 -25.1 67.49 Favored 'General case' 0 C--O 1.212 -0.904 0 O-C-N 121.613 -0.68 . . . . 0.0 111.836 173.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.02 -33.28 65.64 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.88 0.764 . . . . 0.0 109.37 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.8 -42.56 90.56 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 123.669 1.7 . . . . 0.0 107.881 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -62.88 -29.67 70.93 Favored 'General case' 0 C--O 1.202 -1.441 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.027 176.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.4 p -72.48 -42.91 64.38 Favored 'General case' 0 C--O 1.207 -1.174 0 CA-C-N 118.957 0.799 . . . . 0.0 112.443 178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.38 -47.86 82.3 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 175.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -65.16 -37.24 86.75 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 118.171 -1.412 . . . . 0.0 113.916 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -64.15 -44.22 92.81 Favored 'General case' 0 C--O 1.204 -1.299 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.0 mt -54.66 -52.04 63.6 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.401 HE22 ' CG1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.28 -44.26 72.21 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 117.41 -1.716 . . . . 0.0 113.934 178.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -40.9 91.84 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.32 0.964 . . . . 0.0 110.388 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -70.85 -37.76 73.15 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.642 0.377 . . . . 0.0 110.148 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.18 -48.48 73.31 Favored 'General case' 0 C--O 1.246 0.896 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -57.95 -44.3 86.9 Favored 'General case' 0 C--O 1.213 -0.833 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.596 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -65.28 -46.87 78.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.689 0.28 . . . . 0.0 111.206 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.25 -35.06 74.64 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.22 -63.11 1.47 Allowed 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 117.337 -1.745 . . . . 0.0 109.821 177.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -57.41 -38.87 75.0 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 -170.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -91.81 -46.04 8.08 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.069 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -97.57 -39.54 9.07 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 119.6 3.185 . . . . 0.0 119.6 -170.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.8 ttt180 142.11 -58.69 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.987 2.115 . . . . 0.0 111.352 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.1 m 69.58 139.59 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.918 1.287 . . . . 0.0 110.516 -172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 94.6 t -58.91 -40.76 81.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.78 41.91 0.82 Allowed 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.63 126.75 13.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 66.27 -43.23 0.4 Allowed 'General case' 0 N--CA 1.489 1.523 0 C-N-CA 125.933 1.693 . . . . 0.0 113.166 -173.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -66.17 -7.37 17.62 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.795 1.238 . . . . 0.0 113.218 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.19 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 119.282 -0.39 . . . . 0.0 110.363 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 77.0 m80 47.88 73.38 0.21 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.3 mt -47.52 -38.94 15.03 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -62.0 -48.42 80.41 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.674 1.124 . . . . 0.0 110.924 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -59.04 -46.8 87.32 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -64.73 -45.8 84.95 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.077 -176.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.7 mt -59.08 -47.18 86.2 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -56.38 -48.79 76.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.926 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.65 -48.39 66.83 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -72.83 -42.72 63.5 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.407 0.622 . . . . 0.0 111.773 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.401 ' CG1' HE22 ' A' ' 34' ' ' GLN . 63.5 mt -64.45 -36.79 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -67.19 -28.91 68.49 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.148 1.34 . . . . 0.0 111.259 175.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.16 -50.11 62.36 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.11 73.64 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.474 0.654 . . . . 0.0 110.53 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -65.57 -36.52 84.01 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.978 -0.451 . . . . 0.0 109.913 176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -63.67 -51.14 66.45 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 106.368 -1.715 . . . . 0.0 106.368 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -53.17 -45.88 68.7 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 111.437 176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.17 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -63.41 -41.67 98.73 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -61.26 -39.65 91.17 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.7 mt -73.0 -24.29 60.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.543 0.211 . . . . 0.0 111.071 -178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -73.24 -46.48 49.88 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.752 -0.832 . . . . 0.0 108.752 172.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -66.77 -32.52 73.86 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -48.52 73.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 172.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -16.48 64.26 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -96.46 7.19 47.12 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.675 175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.69 173.24 45.28 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.785 -1.326 . . . . 0.0 109.785 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.5 t -136.84 179.82 6.14 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.763 -0.846 . . . . 0.0 109.531 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -62.67 -27.53 69.3 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -87.27 92.86 9.22 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.244 0.545 . . . . 0.0 110.465 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -83.48 82.23 8.38 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 171.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.0 mtm-85 -54.61 145.48 18.84 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 175.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.77 -27.96 45.19 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 115.2 1.556 . . . . 0.0 115.2 -177.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.0 mtm180 -92.29 8.65 37.33 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.999 -0.438 . . . . 0.0 111.443 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -131.33 25.97 4.83 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -65.02 -10.54 30.55 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.524 0.678 . . . . 0.0 111.432 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -17.5 59.1 Favored 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.664 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.17 -56.82 12.06 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 121.105 -0.997 . . . . 0.0 113.013 -176.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -76.48 -16.92 59.55 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.658 -1.276 . . . . 0.0 108.769 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -62.7 -30.17 71.2 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.64 -22.9 65.3 Favored 'General case' 0 C--O 1.221 -0.435 0 O-C-N 121.074 -1.016 . . . . 0.0 109.698 177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.7 tp -75.03 -33.11 61.73 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 175.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -67.61 -35.45 78.98 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -66.78 -33.07 74.8 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.621 -0.674 . . . . 0.0 110.856 175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.45 -43.27 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 175.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -58.08 -43.45 87.04 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -72.16 -30.0 64.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.73 69.67 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 175.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 43.5 tp -62.06 -39.49 92.55 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.423 178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -62.39 -36.11 81.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -68.4 -38.85 81.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.546 -0.721 . . . . 0.0 109.252 177.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.51 -42.53 95.75 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-O 121.198 0.523 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.65 -46.68 88.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.746 177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.99 -37.87 88.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.804 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -64.89 -51.98 59.03 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.82 -43.36 80.93 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.271 0.558 . . . . 0.0 111.079 -178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -47.09 82.55 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.0 p -66.34 -28.49 68.71 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -78.09 -16.51 57.94 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 53.1 p -114.13 -27.15 7.77 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 118.903 2.927 . . . . 0.0 118.903 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.7 m -62.81 -51.52 66.74 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 121.461 3.875 . . . . 0.0 121.461 -168.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -144.65 122.59 12.03 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 118.345 2.72 . . . . 0.0 118.345 -171.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 48.58 -138.82 0.8 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 114.487 -1.233 . . . . 0.0 114.301 171.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 N-CA-C 102.361 -3.2 . . . . 0.0 102.361 176.696 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 CA-C-O 118.728 -1.04 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t -70.07 134.99 87.31 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 178.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -76.72 166.66 26.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 117.616 -1.123 . . . . 0.0 112.176 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -57.25 -37.13 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -55.79 -38.87 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.376 . . . . 0.0 111.57 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -84.36 -36.85 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -56.08 -46.81 78.87 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -95.96 3.34 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -177.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.8 p -53.27 -40.2 64.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -40.01 95.8 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -178.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -86.0 -26.91 25.17 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.33 -51.97 66.64 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 55.5 ttp -60.21 -43.7 95.76 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -60.8 -50.82 71.92 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -68.18 -44.48 75.83 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.193 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.463 ' HG3' ' HE ' ' A' ' 76' ' ' ARG . 66.7 ttp -58.9 -43.05 90.96 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.153 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.36 -47.83 75.06 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -60.53 -46.55 89.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.739 0.304 . . . . 0.0 111.755 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -74.79 -32.05 61.91 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.865 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.0 tp -76.35 -30.26 57.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.116 -0.99 . . . . 0.0 110.711 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.13 -37.88 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.66 -1.978 . . . . 0.0 105.66 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.88 -39.86 98.07 Favored Glycine 0 C--O 1.212 -1.258 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.1 tt -64.35 -40.52 96.02 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.233 1.016 . . . . 0.0 110.118 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 49.3 t60 -64.47 -34.02 77.24 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -71.28 -21.22 62.12 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.982 -0.532 . . . . 0.0 110.842 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.55 -30.34 57.04 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -67.26 -44.78 78.53 Favored 'General case' 0 C--O 1.28 2.679 0 CA-C-O 124.422 2.058 . . . . 0.0 106.806 172.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -61.24 -30.11 70.25 Favored 'General case' 0 C--O 1.179 -2.621 0 CA-C-N 113.056 -1.884 . . . . 0.0 107.854 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.6 p -70.38 -30.96 68.0 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 119.909 1.231 . . . . 0.0 111.338 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.603 HD23 ' HB3' ' A' ' 65' ' ' ALA . 6.3 mt -56.99 -55.57 32.91 Favored 'General case' 0 C--O 1.258 1.501 0 N-CA-C 101.578 -3.49 . . . . 0.0 101.578 172.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -69.15 -33.6 73.68 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 116.56 2.059 . . . . 0.0 116.56 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.64 -35.32 77.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 -50.47 63.21 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.448 HE22 ' CG2' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -66.32 -34.62 78.4 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 116.85 -1.94 . . . . 0.0 112.615 178.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -67.18 -46.34 74.24 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.22 -0.925 . . . . 0.0 110.916 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -65.38 -35.18 80.18 Favored 'General case' 0 C--O 1.214 -0.772 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.8 -45.31 93.25 Favored 'General case' 0 C--O 1.246 0.881 0 CA-C-O 120.866 0.365 . . . . 0.0 110.534 176.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 67.0 t-80 -57.75 -48.83 78.52 Favored 'General case' 0 C--O 1.216 -0.694 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.96 -38.22 90.27 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -38.44 91.2 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -69.47 -59.12 3.19 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.58 174.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -49.2 -41.71 37.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -95.63 -46.3 6.68 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -101.03 -37.98 8.38 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 116.609 2.078 . . . . 0.0 116.609 -168.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 45.89 55.62 6.8 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.1 p -62.59 165.61 6.17 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.9 m -61.48 -8.15 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-N 115.421 -0.809 . . . . 0.0 113.176 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.22 -2.68 22.76 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.104 -0.372 . . . . 0.0 111.395 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.2 p -45.28 -31.13 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -59.14 -25.07 63.55 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -137.27 6.05 2.78 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.59 -13.62 17.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.467 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.04 -132.23 0.08 Allowed 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 79.7 mt 63.07 170.43 0.15 Allowed 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.656 1.183 . . . . 0.0 110.872 -175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -57.13 -31.21 65.11 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.195 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.84 -59.75 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.29 -26.05 39.09 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 118.567 -1.253 . . . . 0.0 109.808 -175.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.6 tp -58.89 -49.69 76.82 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 174.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -58.49 -45.57 88.47 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 115.45 -0.796 . . . . 0.0 109.514 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -66.19 -40.31 90.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.54 -45.37 68.94 Favored 'General case' 0 C--O 1.248 0.976 0 CA-C-N 118.945 0.793 . . . . 0.0 109.625 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.564 ' HB ' HD22 ' A' ' 30' ' ' LEU . 16.9 pt -69.74 -20.04 23.32 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.189 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -77.1 -32.33 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.45 -0.781 . . . . 0.0 108.979 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.48 -44.64 82.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.603 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.98 -34.63 76.51 Favored 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 120.141 -0.624 . . . . 0.0 111.566 176.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.2 -29.18 67.97 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.983 -1.073 . . . . 0.0 110.844 175.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -66.47 -51.85 52.46 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 105.873 -1.899 . . . . 0.0 105.873 176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -50.4 -46.37 56.19 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 120.875 0.369 . . . . 0.0 111.334 172.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.72 87.22 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -62.97 -40.49 97.87 Favored 'General case' 0 C--O 1.241 0.611 0 O-C-N 121.499 -0.751 . . . . 0.0 109.354 178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -62.03 -38.19 87.77 Favored 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.68 -25.8 59.41 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.825 -0.547 . . . . 0.0 110.457 -178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -66.98 -48.21 69.19 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.91 -43.23 91.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.42 0.629 . . . . 0.0 110.422 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.25 -43.27 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.463 ' HE ' ' HG3' ' A' ' 16' ' ' MET . 0.0 OUTLIER -71.36 -15.07 62.37 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.979 -0.45 . . . . 0.0 111.46 -178.447 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -82.15 -5.18 58.26 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.63 147.69 32.79 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 109.349 -1.5 . . . . 0.0 109.349 174.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.67 106.69 9.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.999 -0.707 . . . . 0.0 110.58 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 73.48 -56.02 0.66 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 125.785 1.634 . . . . 0.0 110.817 -176.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -162.83 158.78 23.12 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 101.399 -3.556 . . . . 0.0 101.399 173.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -89.93 0.61 56.97 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -173.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt85 51.89 -110.72 0.52 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.286 0.635 . . . . 0.0 111.641 175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.5 p -58.14 -26.74 63.06 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -96.57 7.98 45.25 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-O 118.513 -0.756 . . . . 0.0 111.962 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -55.18 -46.44 75.82 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 119.899 1.227 . . . . 0.0 113.372 -174.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -66.35 -15.14 63.03 Favored 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -98.23 -43.78 6.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 122.375 -0.203 . . . . 0.0 110.629 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.61 -43.27 12.79 Favored 'General case' 0 C--O 1.205 -1.26 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -71.31 -17.45 62.46 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.476 1.489 . . . . 0.0 108.817 177.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tp10 -64.58 -33.32 75.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -64.9 -28.54 69.6 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -69.33 -45.09 70.31 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -61.73 -34.5 75.93 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -80.74 -9.21 59.82 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.86 -27.87 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 N-CA-C 105.824 -1.917 . . . . 0.0 105.824 167.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -65.71 -36.18 82.87 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 174.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.29 -45.76 79.32 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.086 -0.246 . . . . 0.0 110.534 174.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.69 59.3 Favored 'General case' 0 C--O 1.244 0.789 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 64.8 tp -59.73 -50.84 72.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.279 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -61.98 -35.44 78.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.086 -0.384 . . . . 0.0 111.65 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -62.65 -48.91 77.28 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 177.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.22 94.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.937 0.398 . . . . 0.0 110.543 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -58.52 -46.04 87.56 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.592 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.16 -38.55 88.36 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-O 120.697 0.284 . . . . 0.0 111.396 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -64.08 -44.34 92.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.01 -23.14 62.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.192 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -66.59 -46.6 75.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -32.05 72.74 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.581 0.229 . . . . 0.0 110.77 177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -74.16 -19.92 60.4 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 120.264 -0.574 . . . . 0.0 110.784 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p -110.21 8.61 23.72 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 70.6 m -69.14 13.31 0.12 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.891 1.811 . . . . 0.0 115.891 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 30.9 p90 56.35 153.7 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 119.112 3.004 . . . . 0.0 119.112 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -169.77 -40.87 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.219 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.11 -0.948 . . . . 0.0 109.689 177.096 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 CA-C-O 117.828 -1.54 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p 38.66 68.53 1.85 Allowed Pre-proline 0 N--CA 1.48 1.03 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -69.53 -2.09 9.41 Favored 'Trans proline' 0 C--N 1.349 0.56 0 N-CA-C 113.281 0.454 . . . . 0.0 113.281 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -58.54 -34.28 70.83 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 122.945 0.498 . . . . 0.0 110.708 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -64.87 -35.68 81.91 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.209 179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -74.2 -36.33 63.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -62.59 -37.11 84.93 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.343 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -85.53 -20.08 30.19 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 120.022 -0.671 . . . . 0.0 111.024 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.9 p -76.6 -35.63 58.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.63 1.104 . . . . 0.0 108.041 175.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -55.74 -54.74 40.64 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -75.65 -31.18 59.71 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 120.01 -0.676 . . . . 0.0 112.093 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -61.55 -46.34 90.31 Favored 'General case' 0 C--O 1.212 -0.921 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.9 ttp -62.38 -43.34 99.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.915 -0.491 . . . . 0.0 110.918 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -62.47 -46.02 90.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.057 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -66.33 -45.52 79.96 Favored 'General case' 0 C--O 1.217 -0.629 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.6 ttp -57.94 -44.82 87.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.779 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.0 ptp -68.16 -35.62 78.34 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 118.866 -1.134 . . . . 0.0 111.205 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -73.47 -41.65 62.9 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 121.844 -0.535 . . . . 0.0 111.689 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -75.0 -15.06 60.67 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.533 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 20' ' ' LEU . 12.5 mt -81.96 -24.11 35.71 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 120.995 -1.065 . . . . 0.0 110.504 171.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 -40.51 91.66 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 172.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.21 -31.27 76.99 Favored Glycine 0 C--O 1.221 -0.716 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.696 175.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.81 -32.96 70.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -72.41 -26.22 61.78 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 173.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -68.18 -34.7 76.79 Favored 'General case' 0 C--O 1.209 -1.066 0 C-N-CA 119.1 -1.04 . . . . 0.0 108.639 170.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.0 77.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.231 0.923 . . . . 0.0 110.4 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' HA ' HD23 ' A' ' 30' ' ' LEU . 27.6 tt0 -65.05 -47.96 75.5 Favored 'General case' 0 C--O 1.254 1.324 0 CA-C-O 123.121 1.439 . . . . 0.0 108.154 175.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -61.34 -33.27 73.35 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.249 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -69.21 -40.5 77.96 Favored 'General case' 0 C--O 1.209 -1.041 0 CA-C-N 119.374 0.988 . . . . 0.0 110.45 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -61.77 -46.54 89.12 Favored 'General case' 0 C--O 1.259 1.554 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 176.055 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 53.9 m-70 -68.86 -36.66 78.38 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 118.918 -1.113 . . . . 0.0 113.424 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -38.09 87.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 175.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.7 -51.86 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -43.66 77.59 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 117.684 -1.606 . . . . 0.0 113.746 178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.37 -39.21 81.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 121.244 -0.91 . . . . 0.0 112.327 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD2' HD13 ' A' ' 107' ' ' LEU . 63.5 mtt180 -75.4 -28.5 59.47 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.915 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.5 -45.43 87.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 107.347 -1.353 . . . . 0.0 107.347 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -57.05 -44.18 82.71 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.39 -40.35 89.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.589 0.233 . . . . 0.0 111.263 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.57 91.74 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.8 -59.05 5.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 118.553 -1.259 . . . . 0.0 109.426 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -48.49 -43.26 34.77 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -174.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -91.21 -46.45 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.89 -0.724 . . . . 0.0 112.95 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -100.99 -35.94 9.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -170.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 82.23 -6.14 1.39 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 126.232 1.813 . . . . 0.0 110.628 -176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.6 p 65.29 162.14 0.14 Allowed 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 174.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.09 -23.02 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mp0 -90.17 38.01 0.91 Allowed 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.682 176.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -40.55 -51.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -107.97 5.37 26.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.477 0.656 . . . . 0.0 109.821 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -124.04 10.31 8.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -59.13 -38.58 75.04 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.518 0 CA-C-O 119.539 -0.267 . . . . 0.0 111.137 -178.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 75.7 m80 45.88 55.13 7.26 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -31.71 -51.65 0.22 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 117.738 2.496 . . . . 0.0 117.738 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.48 -45.23 95.11 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.456 0.571 . . . . 0.0 111.489 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -67.19 -42.69 83.77 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -44.12 96.11 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.51 -44.83 93.16 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 177.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -58.67 -41.97 87.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.503 -0.748 . . . . 0.0 110.799 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -72.96 -42.92 62.89 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -69.63 -43.28 73.0 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.275 1.036 . . . . 0.0 110.006 -177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.0 mt -66.98 -28.5 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -68.7 -33.8 74.58 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.699 -1.251 . . . . 0.0 110.289 175.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.49 -41.71 88.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.11 -35.33 78.39 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.065 175.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mttt -66.41 -35.52 80.53 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.322 -0.861 . . . . 0.0 110.091 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -62.11 -53.73 51.24 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.3 -50.14 59.93 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.53 75.62 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -64.51 -40.33 95.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 176.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HE ' ' CD ' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -64.5 -35.7 81.81 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.59 -36.54 81.08 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 176.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 76' ' ' ARG . 46.9 mtpt -59.22 -52.42 65.78 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.138 0.881 . . . . 0.0 109.303 174.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -62.05 -32.64 73.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.446 -175.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.04 -42.95 72.22 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' HD3' ' HA ' ' A' ' 73' ' ' LYS . 51.9 mtp180 -61.13 -32.99 72.68 Favored 'General case' 0 CA--C 1.503 -0.854 0 O-C-N 122.061 -0.399 . . . . 0.0 110.622 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -76.84 6.29 6.38 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.819 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.53 -179.56 43.62 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.843 -0.503 . . . . 0.0 111.843 175.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.8 t -162.75 -170.35 2.35 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.2 146.31 23.79 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.24 7.15 6.04 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.208 1.003 . . . . 0.0 112.555 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 50.62 35.12 10.9 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.494 1.518 . . . . 0.0 113.854 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 66.76 87.89 0.12 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 122.054 0.93 . . . . 0.0 110.337 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.3 m 51.24 33.45 9.69 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 114.628 -1.169 . . . . 0.0 112.763 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.96 33.6 22.03 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.765 0.826 . . . . 0.0 111.826 -178.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -82.47 98.33 8.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -50.74 -21.28 1.55 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -175.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -52.43 -30.55 30.0 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.749 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.24 -57.33 10.83 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.53 -0.731 . . . . 0.0 111.975 -178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -73.67 -16.83 61.2 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.87 -1.144 . . . . 0.0 109.841 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.93 -28.06 68.64 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 172.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.469 ' CD ' ' HE ' ' A' ' 71' ' ' ARG . 17.7 mm-40 -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.71 -36.67 73.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.03 -36.09 83.27 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 121.968 0.889 . . . . 0.0 109.047 175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -77.12 -23.65 51.76 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.416 -0.803 . . . . 0.0 111.549 178.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 t -67.83 -44.2 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 171.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -57.88 -41.3 82.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.217 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -75.09 -31.45 61.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 120.177 -0.609 . . . . 0.0 112.587 177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.29 82.33 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.4 mt -62.82 -43.22 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.662 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.4 ttt85 -61.88 -37.12 83.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.151 -0.343 . . . . 0.0 111.375 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -66.67 -38.02 85.96 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.09 84.35 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-O 121.561 0.696 . . . . 0.0 109.815 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -57.84 -42.82 85.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.675 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -73.64 -29.34 62.29 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -66.43 -45.02 81.25 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.423 HD13 ' HD2' ' A' ' 36' ' ' ARG . 77.4 mt -64.77 -37.18 86.72 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.966 177.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -57.83 -48.0 81.01 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 83.8 p -64.43 -29.15 70.21 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -77.31 -20.76 54.5 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.888 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.6 p -98.94 -12.16 20.95 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.8 m -73.55 -3.88 30.51 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -147.19 147.66 30.71 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -144.58 167.18 23.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 123.346 0.404 . . . . 0.0 110.712 -178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 116.697 -1.62 . . . . 0.0 107.589 179.458 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 CA-C-O 118.792 -1.005 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -65.47 151.83 93.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 118.15 0.975 . . . . 0.0 109.272 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -62.41 156.9 48.81 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 117.899 -0.934 . . . . 0.0 112.471 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -59.59 -31.33 69.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.217 0.532 . . . . 0.0 110.944 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -62.16 -31.54 72.05 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.077 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -85.67 -37.22 19.68 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 177.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -57.48 -40.81 79.38 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.224 0.535 . . . . 0.0 111.304 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -104.53 9.41 35.46 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 p -56.3 -41.74 76.46 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -43.76 97.64 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -176.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.97 -33.55 21.09 Favored 'General case' 0 C--O 1.215 -0.738 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.815 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -61.43 -44.17 97.59 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.55 -44.2 91.53 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -58.98 -47.31 85.63 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.606 0.241 . . . . 0.0 110.684 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -68.2 -44.27 76.19 Favored 'General case' 0 C--O 1.197 -1.692 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 ttp -54.96 -45.31 74.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 118.165 0.439 . . . . 0.0 110.274 178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.2 mtt -60.73 -52.23 66.0 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.604 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -68.39 -36.7 79.54 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -71.64 -31.78 67.22 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.02 -24.16 43.86 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 121.132 -0.98 . . . . 0.0 111.225 175.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.06 -40.38 94.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 104.701 -2.333 . . . . 0.0 104.701 169.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -64.23 -39.05 96.72 Favored Glycine 0 C--O 1.224 -0.515 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.3 tt -62.48 -40.2 95.91 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -70.83 -25.15 62.72 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 121.414 -0.804 . . . . 0.0 110.754 175.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 -73.99 -23.43 59.45 Favored 'General case' 0 C--O 1.212 -0.875 0 O-C-N 121.385 -0.822 . . . . 0.0 110.009 172.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.18 -35.99 64.01 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -63.77 -42.75 97.72 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-O 122.828 1.299 . . . . 0.0 108.518 175.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -61.98 -43.4 98.91 Favored 'General case' 0 C--O 1.179 -2.656 0 CA-C-N 114.866 -1.061 . . . . 0.0 108.388 173.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.6 p -58.85 -41.41 86.89 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 120.122 1.328 . . . . 0.0 112.158 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.92 -48.5 65.79 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.151 0.887 . . . . 0.0 108.774 176.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -72.55 -26.31 61.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 117.418 -1.713 . . . . 0.0 114.801 -177.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.14 -35.58 71.76 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 174.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 61' ' ' GLU . 5.0 mt -61.95 -42.8 99.53 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 176.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -62.08 -47.52 84.31 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 119.973 -0.691 . . . . 0.0 111.77 176.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -44.38 96.85 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-O 121.453 0.644 . . . . 0.0 111.208 -177.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -67.06 -35.72 80.47 Favored 'General case' 0 C--O 1.213 -0.862 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.384 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tt -65.16 -46.79 79.44 Favored 'General case' 0 C--O 1.252 1.234 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 176.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -56.43 -47.41 79.13 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.841 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -66.43 -42.81 87.14 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.749 0.309 . . . . 0.0 111.503 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 -34.98 69.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -78.37 -62.8 1.57 Allowed 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 117.427 -1.709 . . . . 0.0 110.772 168.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -51.1 -52.05 47.44 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -167.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -96.03 -34.37 11.78 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.31 -0.556 . . . . 0.0 111.175 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -16.74 20.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 118.105 2.631 . . . . 0.0 118.105 -169.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 41.21 44.05 2.12 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.867 1.267 . . . . 0.0 114.045 -175.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -102.01 -134.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 103.391 -2.818 . . . . 0.0 103.391 173.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG12 ' HB3' ' A' ' 110' ' ' HIS . 10.2 m 42.1 44.11 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 124.248 1.019 . . . . 0.0 111.838 -178.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 51.17 61.75 3.08 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.654 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.39 140.82 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 71.05 -41.03 0.49 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 126.567 1.947 . . . . 0.0 112.446 -175.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -100.73 26.63 6.63 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.7 t -55.06 -40.29 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.864 0.866 . . . . 0.0 111.812 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 72.4 m80 47.72 51.65 13.76 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -29.91 30.6 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -176.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -61.13 -44.07 97.91 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.93 0.786 . . . . 0.0 111.114 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -68.79 -45.34 71.55 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -60.43 -46.79 88.76 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.231 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.92 -46.72 87.26 Favored 'General case' 0 C--O 1.22 -0.466 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.7 tpt180 -53.99 -49.24 69.27 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.19 -178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -76.76 -41.08 46.23 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -175.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 33' ' ' LEU . 16.9 pt-20 -70.73 -44.86 65.96 Favored 'General case' 0 C--O 1.257 1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 110.274 -178.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.19 -35.14 67.37 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -61.97 -48.01 82.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.309 0.959 . . . . 0.0 110.293 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.4 mt -60.31 -45.34 93.75 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-O 121.239 0.542 . . . . 0.0 110.274 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.65 -32.37 73.82 Favored 'General case' 0 CA--C 1.551 1.013 0 CA-C-O 121.685 0.755 . . . . 0.0 110.883 177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.3 ttmt -73.72 -29.82 62.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.495 -0.753 . . . . 0.0 110.699 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -64.9 -46.62 80.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 105.392 -2.077 . . . . 0.0 105.392 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -58.85 -42.82 90.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 118.163 -1.415 . . . . 0.0 113.904 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.35 -40.74 71.64 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.953 -1.092 . . . . 0.0 112.254 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.9 -41.77 97.62 Favored 'General case' 0 C--O 1.24 0.593 0 O-C-N 122.137 -0.352 . . . . 0.0 110.658 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.7 mtm180 -60.94 -43.97 97.93 Favored 'General case' 0 C--O 1.217 -0.631 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 mt -65.55 -35.84 82.02 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 121.803 -0.561 . . . . 0.0 110.183 178.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -63.5 -50.58 69.09 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 122.268 -0.27 . . . . 0.0 111.113 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -71.63 -30.83 66.2 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.41 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.09 -44.61 91.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 175.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -33.63 73.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.228 177.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -79.16 3.42 17.74 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.018 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.24 177.51 53.43 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-O 122.849 1.249 . . . . 0.0 115.5 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 p -113.74 170.68 8.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.562 -0.819 . . . . 0.0 110.932 -178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -72.15 77.04 0.96 Allowed 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -165.06 167.63 18.13 Favored 'General case' 0 C--O 1.219 -0.536 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 176.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -118.19 2.28 11.98 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 122.042 0.925 . . . . 0.0 109.992 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -148.33 -52.13 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.3 m -60.06 99.55 0.07 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.476 0.31 . . . . 0.0 110.574 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 59.32 16.33 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.607 1.163 . . . . 0.0 111.06 -172.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -127.52 48.5 2.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 122.009 0.909 . . . . 0.0 109.116 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HE3' ' CD1' ' A' ' 88' ' ' TYR . 13.9 ttpt -57.03 139.63 51.64 Favored 'General case' 0 C--O 1.207 -1.132 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.415 ' CD1' ' HE3' ' A' ' 87' ' ' LYS 0.263 0.0 OUTLIER 47.53 35.1 3.94 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 119.463 3.134 . . . . 0.0 119.463 -179.599 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.47 -61.44 2.1 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -80.36 -16.98 53.26 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 119.763 -1.836 . . . . 0.0 108.758 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -65.34 -28.42 69.28 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 170.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.52 -32.41 73.75 Favored 'General case' 0 C--O 1.214 -0.796 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.26 -32.74 70.71 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.86 -33.46 75.65 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 172.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -71.36 -27.79 63.6 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.493 -0.754 . . . . 0.0 110.561 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.6 t -64.16 -42.0 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 -61.83 -36.92 82.58 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.83 -40.78 83.73 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.343 0.52 . . . . 0.0 111.787 175.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.44 -47.26 79.49 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 175.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.72 -45.32 87.06 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.814 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -61.17 -39.8 91.49 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -62.17 -49.01 77.53 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.14 -50.18 71.44 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -67.19 -36.44 81.76 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 119.966 -0.694 . . . . 0.0 111.824 -176.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -74.5 -31.91 62.35 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 118.107 0.412 . . . . 0.0 110.266 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -65.01 -51.01 63.99 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.15 -38.61 87.02 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 119.755 -0.778 . . . . 0.0 109.958 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -58.15 -47.47 83.25 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 176.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.6 p -62.39 -32.32 73.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.464 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.43 ' HB3' HG12 ' A' ' 47' ' ' VAL . 91.7 m-70 -78.29 -20.6 51.22 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.986 177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.1 p -96.11 -3.89 43.78 Favored 'General case' 0 C--O 1.22 -0.457 0 O-C-N 122.045 -0.409 . . . . 0.0 110.519 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 69.4 m -71.97 10.1 0.79 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 m-90 65.12 29.97 11.75 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 176.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -84.02 39.33 0.7 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 121.091 0.472 . . . . 0.0 111.337 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.746 0 CA-C-O 118.523 -0.751 . . . . 0.0 109.729 -178.786 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 CA-C-O 118.116 -1.38 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t 48.47 74.82 0.74 Allowed Pre-proline 0 N--CA 1.479 1.001 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.72 -34.7 98.55 Favored 'Trans proline' 0 C--N 1.347 0.498 0 N-CA-C 114.628 0.972 . . . . 0.0 114.628 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.21 -36.73 82.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -61.44 -39.57 91.3 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -70.32 -38.72 74.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -58.88 -42.83 90.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -97.37 3.93 50.89 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.4 p -55.83 -33.79 64.8 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 6.2 pttp -53.02 -59.26 4.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.36 0.6 . . . . 0.0 112.355 179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -76.38 -33.98 58.89 Favored 'General case' 0 C--O 1.206 -1.213 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.196 -176.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -57.64 -50.61 72.58 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 tmm? -63.65 -50.25 70.02 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -58.74 -46.01 88.39 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.321 0.581 . . . . 0.0 112.375 -177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -69.38 -45.64 68.82 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.402 -178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.9 mmt -64.5 -37.56 87.97 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 56.0 ttm -58.48 -53.57 56.87 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -64.65 -43.0 95.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -68.38 -37.64 80.61 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.701 -0.625 . . . . 0.0 111.21 -176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.61 -19.34 33.16 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 121.586 -0.696 . . . . 0.0 110.571 -176.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.38 -38.94 91.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.72 -2.326 . . . . 0.0 104.72 169.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.78 -35.0 84.44 Favored Glycine 0 C--O 1.22 -0.769 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.123 175.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.89 -44.38 85.47 Favored 'General case' 0 C--O 1.25 1.101 0 CA-C-O 121.919 0.866 . . . . 0.0 108.965 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -59.86 -47.48 85.59 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -63.53 -20.61 65.77 Favored 'General case' 0 C--O 1.204 -1.308 0 CA-C-O 118.591 -0.718 . . . . 0.0 112.027 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.2 -44.87 35.85 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.26 0.936 . . . . 0.0 110.745 176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' H ' ' HG3' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -66.96 -41.98 85.98 Favored 'General case' 0 C--O 1.295 3.464 0 CA-C-O 123.991 1.853 . . . . 0.0 108.759 177.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -58.93 -39.07 80.5 Favored 'General case' 0 C--O 1.18 -2.594 0 CA-C-N 112.968 -1.924 . . . . 0.0 107.184 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 p -65.28 -30.29 71.15 Favored 'General case' 0 C--O 1.199 -1.599 0 CA-C-N 120.234 1.379 . . . . 0.0 112.087 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.83 -58.21 9.42 Favored 'General case' 0 C--O 1.26 1.658 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 174.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -71.87 -33.46 68.42 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 117.184 -1.806 . . . . 0.0 115.51 -172.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -65.63 -37.03 85.41 Favored 'General case' 0 C--O 1.21 -0.983 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.6 mt -64.73 -52.9 54.6 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.716 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.87 89.74 Favored 'General case' 0 C--O 1.26 1.644 0 C-N-CA 116.689 -2.004 . . . . 0.0 110.753 -179.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.18 -50.72 72.55 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 119.902 -0.719 . . . . 0.0 111.136 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -64.61 -35.06 79.79 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 118.186 0.448 . . . . 0.0 111.376 -179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.36 -45.4 93.35 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 -65.69 -32.62 74.28 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.888 -1.125 . . . . 0.0 112.335 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -68.22 -43.15 78.61 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.058 0.844 . . . . 0.0 109.247 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.85 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.35 -63.7 1.01 Allowed 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 118.621 -1.232 . . . . 0.0 108.822 174.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -52.21 -37.52 55.26 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -172.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -95.97 -46.39 6.54 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -97.13 -35.58 10.74 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 115.797 1.776 . . . . 0.0 115.797 -169.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 39.55 51.3 2.25 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.9 m -51.44 150.39 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.19 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.56 -25.19 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -81.76 23.83 0.64 Allowed 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.153 -0.967 . . . . 0.0 112.236 178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -54.08 -28.78 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.319 0.647 . . . . 0.0 112.662 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -65.86 -21.15 66.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.424 0.63 . . . . 0.0 111.256 177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -116.45 -11.2 11.17 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.761 0.824 . . . . 0.0 111.843 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.0 t -56.93 -39.66 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.105 0.253 . . . . 0.0 111.623 -179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -143.8 -119.06 0.09 Allowed 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -177.662 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.609 ' H ' ' CG ' ' A' ' 53' ' ' HIS . 52.4 mt 65.48 169.58 0.21 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.936 1.294 . . . . 0.0 109.455 -176.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -52.5 -37.37 57.22 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.841 -178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -62.0 -56.15 22.02 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -76.25 -32.18 58.73 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 118.096 -1.442 . . . . 0.0 110.342 -176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.01 -45.96 91.29 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.368 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -65.05 -40.5 94.85 Favored 'General case' 0 C--O 1.218 -0.555 0 C-N-CA 119.672 -0.811 . . . . 0.0 109.738 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -60.77 -48.7 80.61 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.436 0.562 . . . . 0.0 112.403 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.49 -48.33 72.96 Favored 'General case' 0 C--O 1.251 1.159 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.406 -176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.0 pt -66.59 -28.21 42.59 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 C-N-CA 118.607 -1.237 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.405 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 88.6 m-20 -69.01 -40.54 78.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 119.142 0.883 . . . . 0.0 110.243 177.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.69 -47.4 72.52 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 121.605 0.717 . . . . 0.0 109.642 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.67 91.77 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.118 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 46.9 mtmt -66.1 -28.81 69.1 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.834 -0.541 . . . . 0.0 111.349 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -67.65 -48.49 66.55 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 99' ' ' ALA . 32.8 mm-40 -72.76 -20.16 61.23 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 116.894 -1.922 . . . . 0.0 111.811 176.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.45 -31.59 72.76 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.622 -1.298 . . . . 0.0 109.267 170.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -63.76 -35.53 80.9 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 174.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.2 mmm-85 -67.11 -35.55 80.0 Favored 'General case' 0 C--O 1.215 -0.723 0 C-N-CA 119.537 -0.865 . . . . 0.0 110.229 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -38.23 89.75 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 121.143 -0.973 . . . . 0.0 109.635 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 ttpt -66.18 -40.07 90.2 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.648 -0.657 . . . . 0.0 110.17 176.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -66.65 -33.62 76.05 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.498 -0.751 . . . . 0.0 110.045 178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.3 mt -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 174.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -58.8 -38.61 78.98 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.117 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -97.79 15.38 23.88 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.238 0.542 . . . . 0.0 110.324 178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -90.73 -88.43 1.36 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 121.305 3.282 . . . . 0.0 121.305 -172.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 t -160.95 164.95 30.72 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.015 -0.697 . . . . 0.0 112.35 -170.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -61.45 -37.0 81.97 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.199 0.6 . . . . 0.0 110.224 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -170.25 167.57 8.49 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.183 -1.784 . . . . 0.0 106.183 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -77.51 61.89 2.37 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.5 mtp-105 -131.83 173.83 10.77 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 170.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.1 t 57.65 -102.16 0.14 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.239 0.616 . . . . 0.0 110.004 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -70.69 -23.98 62.58 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.33 0.514 . . . . 0.0 111.405 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 63.02 -62.51 0.12 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp 51.02 37.35 17.57 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.089 0.956 . . . . 0.0 112.271 -177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 p90 41.61 38.41 0.9 Allowed 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.39 -57.97 6.29 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -174.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 120.85 -1.156 . . . . 0.0 108.646 -177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -42.6 95.81 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 171.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 95' ' ' GLN . 14.1 pt-20 -75.92 -22.3 56.18 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 118.586 -1.246 . . . . 0.0 110.274 -175.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -64.75 -41.15 96.13 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.53 -27.92 66.53 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 177.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HB2' ' HA ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -71.74 -32.2 67.48 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.867 -0.521 . . . . 0.0 110.338 174.824 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.9 t -71.1 -35.45 58.86 Favored 'Isoleucine or valine' 0 C--O 1.246 0.898 0 CA-C-O 122.422 1.106 . . . . 0.0 108.699 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -62.73 -31.88 72.9 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -74.94 -33.85 62.02 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.998 -0.438 . . . . 0.0 110.159 174.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' ' 68' ' ' GLU . . . -55.71 -50.39 70.45 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 173.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.1 -45.91 89.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -59.02 -40.04 83.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.475 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -64.43 -46.11 84.6 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.09 -47.98 83.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.088 0.47 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.8 -37.98 89.4 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.951 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -70.31 -34.59 72.9 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.398 -0.814 . . . . 0.0 111.948 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -65.36 -42.13 93.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 176.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 60.2 tp -60.52 -39.8 89.14 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-O 119.012 -0.518 . . . . 0.0 110.819 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -54.93 -52.51 62.74 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.71 -35.63 76.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -78.07 -20.53 52.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.021 -0.424 . . . . 0.0 111.106 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.1 p -103.22 -1.4 28.98 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.34 0.656 . . . . 0.0 112.722 -178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 71.0 m -58.37 -18.39 27.47 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.6 t90 66.76 -34.1 0.21 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.478 2.399 . . . . 0.0 117.478 174.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -55.08 143.38 27.17 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 179.405 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 CA-C-O 118.82 -0.989 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 t -66.97 144.48 98.54 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 118.28 1.04 . . . . 0.0 109.628 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -69.71 -4.02 13.15 Favored 'Trans proline' 0 C--N 1.353 0.775 0 CA-C-N 118.356 0.449 . . . . 0.0 112.676 177.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.84 -26.85 68.8 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.88 -41.61 96.32 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 175.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -71.85 -37.31 70.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.02 -19.07 62.47 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.28 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -105.81 -20.13 13.54 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 121.828 0.823 . . . . 0.0 113.1 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.7 p -71.24 -37.39 71.98 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -171.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -59.04 5.02 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -85.33 -25.13 27.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.037 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -62.23 -48.1 81.49 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 118.26 -1.376 . . . . 0.0 108.613 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.9 mmt -71.58 -34.82 70.25 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.679 -178.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -62.04 -45.18 94.72 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.356 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -64.95 -45.1 87.17 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -54.62 -47.15 73.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.895 0.379 . . . . 0.0 110.41 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 95.0 mmm -65.24 -41.87 93.92 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 121.096 -0.242 . . . . 0.0 110.85 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -63.41 -40.57 97.55 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.939 0.399 . . . . 0.0 110.116 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -67.52 -38.28 84.04 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 122.343 -0.223 . . . . 0.0 110.539 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD23 ' HG3' ' A' ' 76' ' ' ARG . 0.4 OUTLIER -78.61 -27.28 45.47 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 119.792 -0.763 . . . . 0.0 112.399 179.287 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.12 -41.37 97.27 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 172.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -66.16 -37.1 92.7 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.21 -44.65 94.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.598 0.699 . . . . 0.0 109.441 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.95 -33.06 71.62 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 121.565 -0.709 . . . . 0.0 109.984 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.6 ttm105 -62.56 -34.6 77.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.514 -0.741 . . . . 0.0 109.215 174.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.33 -32.73 72.02 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.898 -0.501 . . . . 0.0 109.733 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -65.07 -43.11 93.27 Favored 'General case' 0 C--O 1.262 1.741 0 CA-C-O 123.523 1.63 . . . . 0.0 109.032 175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -63.29 -30.63 71.74 Favored 'General case' 0 C--O 1.194 -1.857 0 CA-C-N 114.045 -1.434 . . . . 0.0 108.744 176.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.7 p -69.04 -33.52 73.74 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-N 119.78 1.173 . . . . 0.0 110.638 175.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.691 HD22 ' HB ' ' A' ' 62' ' ' ILE . 11.2 mt -59.69 -51.99 67.42 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 103.969 -2.604 . . . . 0.0 103.969 173.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -73.36 -26.74 61.14 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 115.845 1.794 . . . . 0.0 115.845 -173.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.27 -40.8 90.37 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 174.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' HA ' HD11 ' A' ' 107' ' ' LEU . 4.8 mt -61.86 -48.92 78.39 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.23 -59.38 4.74 Favored 'General case' 0 C--O 1.247 0.966 0 C-N-CA 120.22 -0.592 . . . . 0.0 111.593 177.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.88 -46.33 88.34 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -72.53 -22.16 61.07 Favored 'General case' 0 C--O 1.21 -1.024 0 O-C-N 121.49 -0.756 . . . . 0.0 112.08 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.62 -44.32 28.67 Favored 'General case' 0 C--O 1.27 2.178 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 173.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -56.65 -43.92 80.81 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-N 114.639 -1.164 . . . . 0.0 107.9 177.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -72.41 -31.81 65.83 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.19 -39.06 85.17 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -79.02 -63.92 1.31 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 114.762 -2.775 . . . . 0.0 111.416 173.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.48 -39.78 80.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -167.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -95.64 -43.08 8.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.957 177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -96.75 -12.66 23.43 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -166.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 44.88 32.89 0.89 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 170.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.8 p -66.56 170.16 6.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 m -62.74 -8.0 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -20.8 62.14 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 122.538 0.335 . . . . 0.0 111.451 176.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.3 130.47 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-O 120.693 0.282 . . . . 0.0 111.333 -176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 68.8 -46.4 0.55 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.955 1.702 . . . . 0.0 112.964 -174.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -64.26 -15.39 60.02 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.751 0.82 . . . . 0.0 112.082 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -54.44 -27.16 17.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 119.261 -0.4 . . . . 0.0 111.921 174.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.7 t60 54.56 52.15 12.79 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.937 -1.875 . . . . 0.0 105.937 -175.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 36.7 tp -32.11 -51.88 0.25 Allowed 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 118.525 2.787 . . . . 0.0 118.525 -170.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -61.98 -47.66 83.82 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.352 0.978 . . . . 0.0 111.113 -178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -66.76 -39.36 87.85 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -62.5 -47.32 84.49 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 tt -58.89 -48.53 81.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -53.23 -46.22 69.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.07 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -74.94 -44.43 48.54 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -63.24 -47.9 80.52 Favored 'General case' 0 C--O 1.274 2.383 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -176.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.691 ' HB ' HD22 ' A' ' 30' ' ' LEU . 3.9 pt -70.92 -22.01 22.72 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.466 0 C-N-CA 119.757 -0.777 . . . . 0.0 110.486 177.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.34 -37.46 80.52 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.869 1.213 . . . . 0.0 109.609 174.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.8 mt -72.42 -45.8 58.0 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 121.458 0.646 . . . . 0.0 109.75 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.55 ' HB3' HD23 ' A' ' 30' ' ' LEU . . . -61.54 -36.62 81.1 Favored 'General case' 0 CA--C 1.56 1.345 0 C-N-CA 117.863 -1.535 . . . . 0.0 109.832 177.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -64.66 -31.73 73.09 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.145 0.578 . . . . 0.0 109.83 174.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.69 -53.58 49.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' HG2' ' HB2' ' A' ' 99' ' ' ALA . 4.1 mp0 -67.96 -27.41 66.57 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 116.796 -1.962 . . . . 0.0 113.176 176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.79 -34.07 76.49 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 120.761 -1.212 . . . . 0.0 111.154 173.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -65.43 -37.3 86.51 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -64.87 -36.35 84.06 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.45 -36.98 84.11 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.764 -0.585 . . . . 0.0 109.836 177.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.63 -47.31 84.31 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 120.255 -0.578 . . . . 0.0 109.492 174.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.96 -39.27 88.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.906 0.384 . . . . 0.0 111.274 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 mp -64.99 -44.09 90.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HG3' HD23 ' A' ' 20' ' ' LEU . 2.0 tmt_? -62.21 -37.97 87.37 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.056 0.455 . . . . 0.0 110.209 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.25 13.76 4.02 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.436 0.636 . . . . 0.0 110.414 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -85.48 -128.4 2.02 Favored Glycine 0 CA--C 1.521 0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 114.396 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.2 p -139.72 167.78 21.32 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.1 -0.647 . . . . 0.0 112.059 -175.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -63.78 130.52 44.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 104.772 -2.307 . . . . 0.0 104.772 169.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.8 p30 57.17 175.24 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -80.21 61.41 4.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.759 -1.109 . . . . 0.0 112.971 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.52 177.86 0.83 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.169 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -25.4 4.39 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -178.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -96.13 -0.77 49.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -140.26 31.01 1.95 Allowed 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 122.734 0.414 . . . . 0.0 110.954 -175.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -66.83 -8.87 31.87 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -118.75 14.44 13.43 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 123.864 0.866 . . . . 0.0 109.402 -176.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.09 -55.56 21.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -173.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -78.37 -20.12 51.93 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 121.109 -0.995 . . . . 0.0 108.571 -175.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.6 -36.0 82.82 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 169.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -70.2 -25.71 63.55 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 121.626 -0.671 . . . . 0.0 109.991 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 47.3 tp -67.72 -37.74 82.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.54 -36.04 81.71 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.99 -30.86 71.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.676 -0.64 . . . . 0.0 111.533 175.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.32 -35.13 45.62 Favored 'Isoleucine or valine' 0 C--O 1.249 1.067 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -38.06 77.73 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 106.077 -1.824 . . . . 0.0 106.077 173.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -76.75 -25.09 53.08 Favored 'General case' 0 C--O 1.214 -0.814 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.418 ' HB2' ' HG2' ' A' ' 68' ' ' GLU . . . -58.99 -48.93 79.79 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.769 -2.308 . . . . 0.0 104.769 170.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.5 mp -66.34 -41.92 88.86 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 114.115 -1.402 . . . . 0.0 111.872 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.71 -33.66 75.33 Favored 'General case' 0 C--O 1.213 -0.848 0 O-C-N 121.715 -0.616 . . . . 0.0 110.714 178.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -46.42 89.67 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 175.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.97 -51.68 68.24 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.952 0.882 . . . . 0.0 110.229 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -58.77 -39.55 81.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.325 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -69.95 -40.02 75.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.98 -38.16 79.18 Favored 'General case' 0 C--O 1.22 -0.479 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 33' ' ' LEU . 64.4 mt -63.71 -35.46 80.64 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 120.345 -0.542 . . . . 0.0 112.114 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -59.36 -48.45 81.59 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.7 p -62.95 -32.91 74.33 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 120.552 -0.459 . . . . 0.0 112.006 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -78.05 -19.63 53.93 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.787 -0.571 . . . . 0.0 109.997 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.5 p -97.05 -18.61 19.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.255 177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 50.9 m -90.51 -17.49 26.97 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 116.053 1.871 . . . . 0.0 116.053 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -78.48 78.48 4.94 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 58.07 72.86 0.5 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 171.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.623 -1.179 . . . . 0.0 108.458 174.139 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 CA-C-O 118.637 -1.091 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.4 m -65.29 147.1 98.81 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 118.171 0.986 . . . . 0.0 110.402 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -72.79 170.47 19.53 Favored 'Trans proline' 0 C--O 1.24 0.625 0 O-C-N 122.113 0.533 . . . . 0.0 112.808 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -34.88 75.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.862 -179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -57.84 -41.13 81.69 Favored 'General case' 0 C--O 1.218 -0.575 0 O-C-N 122.251 -0.281 . . . . 0.0 110.552 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -77.64 -35.4 52.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.299 178.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -57.96 -40.66 81.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.76 0.314 . . . . 0.0 111.546 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -105.75 10.63 32.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.31 -0.404 . . . . 0.0 112.017 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 p -45.77 -38.98 7.64 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -172.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 5.8 pttp -47.27 -78.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.272 1.034 . . . . 0.0 113.559 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 28.7 tp10 -77.53 -26.4 51.03 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.366 -174.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -66.66 -47.15 73.41 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.975 -0.453 . . . . 0.0 111.141 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.6 ttm -70.62 -38.28 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -56.36 -44.64 80.31 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 -56.7 16.67 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.712 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 38.1 ttm -58.53 -35.03 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.2 ttp -64.72 -50.92 65.04 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.5 -41.17 84.76 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -64.82 -48.74 73.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.372 0.606 . . . . 0.0 112.169 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.33 -26.03 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -72.8 -25.75 61.26 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.7 -40.72 85.31 Favored Glycine 0 CA--C 1.518 0.279 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 172.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.1 -38.96 88.15 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -64.2 -37.43 87.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.645 -0.659 . . . . 0.0 110.051 175.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -62.19 -37.13 84.12 Favored 'General case' 0 C--O 1.202 -1.442 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 173.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.44 94.57 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.561 1.073 . . . . 0.0 111.911 177.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.62 -44.68 81.39 Favored 'General case' 0 C--O 1.273 2.292 0 CA-C-O 123.966 1.841 . . . . 0.0 109.298 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -61.36 -33.08 73.05 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.116 176.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 p -68.63 -42.45 78.03 Favored 'General case' 0 C--O 1.199 -1.556 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.581 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.17 -48.43 76.0 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 176.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -66.31 -39.68 89.46 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.223 -178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -68.45 -27.53 66.26 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.6 -51.47 59.41 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -41.41 92.5 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 117.0 -1.88 . . . . 0.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.66 -50.97 70.5 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 120.213 -0.595 . . . . 0.0 110.658 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.2 -22.13 60.52 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -178.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.6 -43.22 56.59 Favored 'General case' 0 C--O 1.257 1.462 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -59.87 -43.45 94.71 Favored 'General case' 0 C--O 1.215 -0.713 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -59.58 -48.86 79.99 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 117.867 0.303 . . . . 0.0 110.56 174.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.39 -43.25 83.49 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.299 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -81.34 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 115.227 -2.589 . . . . 0.0 110.219 176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -58.69 -39.39 80.6 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 113.823 1.045 . . . . 0.0 113.823 -167.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -96.04 -40.81 9.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 119.88 -0.728 . . . . 0.0 112.092 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -96.84 -9.82 27.87 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 39.55 48.75 1.87 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 170.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.5 t -50.74 155.38 1.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.719 175.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.57 -21.26 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 123.61 0.764 . . . . 0.0 113.015 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -93.15 25.12 3.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.1 137.16 16.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 69.6 -43.31 0.52 Allowed 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.215 1.406 . . . . 0.0 112.701 -175.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -59.94 -32.81 71.14 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.091 0.556 . . . . 0.0 110.062 176.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 p -69.45 -13.62 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 178.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 27.84 87.71 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mp -39.07 -41.77 0.84 Allowed 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 117.333 2.346 . . . . 0.0 117.333 -175.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -57.7 -52.43 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.126 0.875 . . . . 0.0 111.765 -179.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.21 -39.62 78.49 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -50.26 74.73 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.855 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.2 mp -62.6 -44.91 95.11 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -56.71 -46.19 81.4 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.268 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -78.56 -33.17 47.91 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.97 -42.54 60.33 Favored 'General case' 0 C--O 1.242 0.666 0 O-C-N 121.537 -0.727 . . . . 0.0 109.867 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.45 -35.92 74.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -63.88 -40.43 96.52 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.53 -0.731 . . . . 0.0 110.909 176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.51 -46.76 86.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.58 -31.51 72.59 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.24 0.543 . . . . 0.0 110.96 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -64.52 -35.36 80.72 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 121.444 -0.785 . . . . 0.0 109.511 175.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.32 -45.63 69.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -53.71 -49.89 67.09 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 120.912 0.387 . . . . 0.0 111.431 171.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.22 -40.79 86.92 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -62.92 -42.46 99.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.8 mtt85 -62.24 -32.37 73.04 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.175 177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.57 -23.18 56.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -72.78 -46.73 51.74 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.128 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.71 -43.37 76.46 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.643 1.211 . . . . 0.0 108.209 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.1 tp -64.43 -46.7 82.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.306 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -22.04 65.92 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -91.0 9.76 29.37 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.626 -0.829 . . . . 0.0 110.811 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -78.05 -172.69 40.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 106.691 -2.563 . . . . 0.0 106.691 167.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.7 t -129.1 -166.9 1.71 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -64.43 2.28 0.64 Allowed 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -155.63 165.86 35.28 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 104.489 -2.411 . . . . 0.0 104.489 176.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -120.27 39.54 3.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.514 1.15 . . . . 0.0 110.661 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -80.62 -162.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t 50.5 41.05 24.74 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 121.064 0.459 . . . . 0.0 111.531 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 63.78 10.66 5.3 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -81.91 13.75 3.13 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.102 0.864 . . . . 0.0 111.312 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -6.14 1.28 Allowed 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -174.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -77.23 -13.74 59.89 Favored 'General case' 0 C--O 1.208 -1.085 0 C-N-CA 120.476 -0.49 . . . . 0.0 109.777 179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.04 -56.75 8.76 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -73.73 -18.64 60.97 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.073 -1.017 . . . . 0.0 109.067 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.7 -40.67 88.57 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 172.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -70.66 -21.35 62.61 Favored 'General case' 0 C--O 1.213 -0.818 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -71.78 -35.73 70.11 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.81 -36.84 75.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 120.978 -1.076 . . . . 0.0 108.23 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.58 -24.34 62.75 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.893 -0.504 . . . . 0.0 110.663 176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.07 -40.86 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 172.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 tpt85 -62.51 -33.14 74.29 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.984 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -71.6 -39.02 70.78 Favored 'General case' 0 C--O 1.213 -0.826 0 CA-C-N 119.152 0.887 . . . . 0.0 111.161 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -55.44 -49.25 72.93 Favored 'General case' 0 C--O 1.243 0.761 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.5 mt -62.9 -42.2 99.7 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.735 177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 44.1 ttm105 -64.53 -35.32 80.59 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HA ' ' HE2' ' A' ' 105' ' ' LYS . 7.3 tmtt? -64.54 -48.88 73.43 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.29 -44.36 95.45 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.282 0.563 . . . . 0.0 110.998 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.38 -53.84 53.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.529 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 102' ' ' LYS . 16.3 pttt -71.19 -23.06 61.96 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.246 0.546 . . . . 0.0 112.245 -178.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -70.67 -44.94 66.01 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.38 -32.86 74.51 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.261 -0.576 . . . . 0.0 111.364 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -60.27 -47.21 86.96 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.7 p -62.85 -30.71 71.71 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -78.2 -20.8 51.16 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.98 -0.45 . . . . 0.0 110.328 178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.1 p -105.4 4.39 30.71 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.734 0.302 . . . . 0.0 111.274 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.7 m -66.58 -4.06 7.78 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 11.4 t-105 62.49 -92.81 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.191 0.996 . . . . 0.0 113.301 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.3 t80 55.84 27.08 10.4 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.891 179.419 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.854 0 CA-C-O 118.339 -1.256 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -62.99 141.13 97.68 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -66.83 142.49 63.25 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 116.785 -1.677 . . . . 0.0 114.191 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.585 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.3 pm0 -63.98 -32.76 74.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.389 -1.278 . . . . 0.0 111.447 -177.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -62.92 -36.4 83.26 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.731 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -80.52 -39.41 27.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -58.6 -40.66 83.86 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.663 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -103.93 17.75 23.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.109 -177.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.6 m -54.36 -34.08 60.4 Favored 'General case' 0 C--O 1.211 -0.955 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -59.21 -55.56 33.37 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.63 -34.88 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.846 -0.534 . . . . 0.0 110.996 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -66.06 -42.03 90.02 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.171 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.2 ttm -67.88 -39.3 83.69 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 121.53 -0.731 . . . . 0.0 109.849 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -55.5 -48.95 73.8 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -61.45 -54.2 46.56 Favored 'General case' 0 C--O 1.215 -0.731 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.536 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 74.4 mtm -53.42 -55.28 26.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.033 -0.417 . . . . 0.0 111.813 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mmt -61.16 -48.21 82.62 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -81.79 -34.4 30.34 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -88.25 -19.26 27.05 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.424 -0.91 . . . . 0.0 112.518 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 20' ' ' LEU . 86.7 mt -81.78 -23.78 36.38 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 118.907 -1.117 . . . . 0.0 108.337 171.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -65.19 -42.22 93.78 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 105.229 -2.137 . . . . 0.0 105.229 170.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -63.08 -37.75 95.45 Favored Glycine 0 C--O 1.215 -1.079 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.515 175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -64.54 -39.68 94.22 Favored 'General case' 0 C--O 1.243 0.719 0 CA-C-N 118.188 0.994 . . . . 0.0 109.576 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.78 -29.98 70.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.7 -22.88 60.83 Favored 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.811 -0.556 . . . . 0.0 110.822 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.33 66.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 119.485 1.039 . . . . 0.0 108.482 173.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -62.25 -43.71 98.22 Favored 'General case' 0 C--O 1.26 1.628 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -59.42 -35.52 74.15 Favored 'General case' 0 C--O 1.176 -2.791 0 CA-C-N 114.453 -1.249 . . . . 0.0 108.486 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -63.65 -41.54 98.21 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 120.668 1.576 . . . . 0.0 111.818 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.53 -44.92 95.55 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -69.11 -35.18 76.17 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 118.969 -1.092 . . . . 0.0 113.865 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -66.36 -39.42 89.15 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 61' ' ' GLU . 3.7 mt -60.4 -57.86 10.98 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -40.09 90.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 117.206 -1.798 . . . . 0.0 114.018 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -67.06 -43.91 81.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.365 -0.835 . . . . 0.0 111.715 -178.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -70.89 -26.89 63.43 Favored 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 119.924 -0.71 . . . . 0.0 109.328 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.2 tp -70.26 -46.02 65.22 Favored 'General case' 0 C--O 1.256 1.401 0 CA-C-O 122.303 1.049 . . . . 0.0 110.03 173.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -61.77 -36.56 81.4 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.872 179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -76.2 -25.57 55.29 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.842 0.353 . . . . 0.0 110.672 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.21 -27.89 66.77 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 173.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -78.28 -63.64 1.35 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 116.239 -2.184 . . . . 0.0 108.636 168.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -47.32 -51.24 19.91 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.954 1.464 . . . . 0.0 114.954 -170.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -96.02 -40.73 9.11 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.15 0.5 . . . . 0.0 111.133 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.1 m80 -96.96 -12.02 23.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -166.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.6 48.73 3.59 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 m -45.72 137.25 5.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.263 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 p -55.19 -25.91 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -175.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -91.49 32.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.385 -0.822 . . . . 0.0 111.654 178.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -53.77 -33.98 24.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -76.68 -11.24 59.82 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.342 0.591 . . . . 0.0 112.318 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -144.61 35.83 1.17 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.139 -174.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -60.95 -33.11 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 112.813 0.672 . . . . 0.0 112.813 -178.432 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -153.45 -55.29 0.11 Allowed 'General case' 0 C--O 1.237 0.407 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.7 mt 60.31 -178.36 0.1 Allowed 'General case' 0 C--O 1.25 1.079 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -170.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 55' ' ' GLU . 28.3 mp0 -62.33 -36.52 82.46 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 121.715 -0.616 . . . . 0.0 109.508 -176.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -59.24 -56.28 24.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.072 -177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -79.19 -23.71 43.67 Favored 'General case' 0 C--O 1.211 -0.936 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.029 -177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.69 -46.87 87.84 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -63.41 -35.56 80.83 Favored 'General case' 0 C--O 1.208 -1.096 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.659 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.29 -46.91 75.33 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 33' ' ' LEU . 16.4 pt-20 -63.65 -48.79 75.8 Favored 'General case' 0 C--O 1.247 0.93 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 -178.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.8 mt -63.86 -31.69 54.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.759 -0.588 . . . . 0.0 110.898 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.3 m-20 -68.74 -32.39 72.12 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.712 -1.242 . . . . 0.0 110.25 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.26 -40.27 67.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 177.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.03 -36.01 80.3 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.966 0.889 . . . . 0.0 109.603 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -65.58 -34.95 79.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.287 177.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -67.4 -51.14 55.49 Favored 'General case' 0 C--O 1.217 -0.646 0 N-CA-C 107.116 -1.439 . . . . 0.0 107.116 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -49.12 -47.86 45.06 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.92 99.62 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -62.34 -42.72 99.62 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.2 mtt-85 -65.81 -33.19 75.28 Favored 'General case' 0 C--O 1.207 -1.18 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.162 178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 96' ' ' VAL . 5.0 mt -70.99 -28.78 64.69 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -72.2 -43.31 64.7 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 120.017 -0.673 . . . . 0.0 109.93 172.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.64 -36.81 84.76 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.281 -0.887 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.33 -49.28 72.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.178 175.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -16.61 64.08 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -41.14 96.19 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 173.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 70.44 179.5 27.27 Favored Glycine 0 C--O 1.228 -0.258 0 N-CA-C 119.504 2.561 . . . . 0.0 119.504 173.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -161.31 165.07 29.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -108.25 -0.83 20.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 175.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -154.24 131.63 11.24 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.162 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' CD ' ' HA ' ' A' ' 87' ' ' LYS . 1.5 mm-40 -100.29 3.46 43.45 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -177.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -70.06 175.39 4.52 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 121.474 -0.766 . . . . 0.0 110.093 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 t 52.5 39.86 28.63 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 62.44 15.94 8.22 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.396 1.078 . . . . 0.0 113.787 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -75.94 1.12 16.08 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.802 -0.561 . . . . 0.0 109.95 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HA ' ' CD ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -61.47 -6.94 2.65 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 178.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.87 -29.32 27.53 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.269 177.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.26 -56.68 11.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 118.351 -1.34 . . . . 0.0 110.486 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -72.56 -17.49 61.71 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.184 -0.947 . . . . 0.0 110.772 -178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -61.78 -36.51 81.27 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 172.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.28 -29.31 70.07 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.415 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.4 tp -68.04 -39.19 83.13 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.49 -39.63 88.83 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.194 -0.602 . . . . 0.0 109.661 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -72.38 -24.81 61.31 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.787 -0.571 . . . . 0.0 111.334 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.4 HG21 ' HG ' ' A' ' 72' ' ' LEU . 3.3 t -68.2 -42.08 84.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 173.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -58.51 -41.67 85.96 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -70.53 -33.32 71.03 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.49 -49.36 75.7 Favored 'General case' 0 C--O 1.248 0.977 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.4 tp -63.96 -37.32 86.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.39 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -62.28 -38.34 88.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.372 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -64.38 -46.56 82.83 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.32 -46.75 87.73 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.091 0.472 . . . . 0.0 111.056 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -61.36 -45.38 94.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.798 0.333 . . . . 0.0 111.272 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -67.33 -31.88 72.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.351 0.596 . . . . 0.0 110.33 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.28 -41.68 80.68 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 177.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.7 -34.58 78.54 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 121.715 -0.615 . . . . 0.0 110.887 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -58.04 -47.28 83.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 174.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -62.9 -32.3 73.54 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.998 -0.439 . . . . 0.0 110.939 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -78.13 1.79 20.09 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 p -130.83 2.67 4.42 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 74.3 m -68.18 -25.45 65.25 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -146.36 137.27 24.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.464 0.575 . . . . 0.0 110.415 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -152.2 170.13 20.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.728 -173.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.321 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.961 177.516 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 118.624 -1.098 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 m -64.9 148.53 97.46 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 118.233 1.016 . . . . 0.0 109.935 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -71.93 165.19 33.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 117.507 -1.195 . . . . 0.0 110.73 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -52.12 -40.05 60.74 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -175.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -56.03 -48.3 76.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.006 0.431 . . . . 0.0 111.326 179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -76.07 -34.04 59.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.951 -0.468 . . . . 0.0 110.349 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -57.73 -39.54 77.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.828 0.451 . . . . 0.0 111.232 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -102.63 2.45 36.02 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.7 p -55.91 -33.37 64.59 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 9.7 pttp -54.16 -72.25 0.06 Allowed 'General case' 0 C--O 1.241 0.651 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -179.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 31.6 mm-40 -77.19 -25.55 51.9 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.672 -0.643 . . . . 0.0 109.804 -175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -64.98 -42.92 94.14 Favored 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 119.574 -0.85 . . . . 0.0 109.408 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 16.6 tpt -67.66 -42.64 81.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.652 0.66 . . . . 0.0 109.745 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -55.71 -52.87 62.4 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-O 121.562 0.696 . . . . 0.0 110.258 178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -66.15 -47.89 72.56 Favored 'General case' 0 C--O 1.182 -2.497 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 -179.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.4 ttp -53.5 -42.26 67.13 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.2 1.364 . . . . 0.0 111.953 -179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 60.8 ttm -60.09 -54.42 46.1 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -70.07 -32.39 70.45 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -73.4 -34.25 65.4 Favored 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 20' ' ' LEU . 61.2 mt -84.05 -22.81 31.13 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 119.171 -1.012 . . . . 0.0 110.378 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.4 -48.2 82.3 Favored 'General case' 0 C--O 1.213 -0.821 0 N-CA-C 103.165 -2.902 . . . . 0.0 103.165 167.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.29 98.15 Favored Glycine 0 C--O 1.213 -1.196 0 CA-C-N 116.031 -0.531 . . . . 0.0 113.102 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.0 -39.49 89.93 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.325 1.062 . . . . 0.0 108.489 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -76.29 -20.82 56.95 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.297 -0.877 . . . . 0.0 112.198 176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 80.6 mtt-85 -75.35 -26.19 58.37 Favored 'General case' 0 C--O 1.208 -1.09 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 173.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.69 -32.29 62.15 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.421 ' HA ' HD13 ' A' ' 30' ' ' LEU . 20.7 tt0 -63.54 -43.3 97.5 Favored 'General case' 0 C--O 1.256 1.42 0 CA-C-O 123.488 1.613 . . . . 0.0 107.008 173.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.68 -23.63 65.33 Favored 'General case' 0 C--O 1.188 -2.183 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.239 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 76.8 p -73.31 -33.96 65.46 Favored 'General case' 0 C--O 1.209 -1.031 0 CA-C-N 120.912 1.687 . . . . 0.0 108.572 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 27' ' ' GLU . 6.2 mp -59.94 -57.41 12.97 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 172.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -67.44 -35.23 78.81 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.91 -35.81 77.28 Favored 'General case' 0 C--O 1.207 -1.146 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.4 mt -60.49 -52.36 65.53 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 119.151 0.887 . . . . 0.0 109.128 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -44.24 79.01 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 118.011 -1.476 . . . . 0.0 113.357 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -65.34 -43.48 90.78 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.712 -0.617 . . . . 0.0 111.214 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -70.21 -30.91 68.12 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.603 -0.686 . . . . 0.0 109.899 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.9 -48.5 68.53 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 173.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -61.2 -41.0 96.04 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.53 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -66.7 -38.24 86.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.054 -0.404 . . . . 0.0 110.401 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.71 86.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -63.62 -60.33 3.47 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 117.56 -1.656 . . . . 0.0 108.786 171.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.96 -50.86 18.28 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.192 1.552 . . . . 0.0 115.192 -170.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -96.09 -36.42 11.0 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 177.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.1 m-70 -96.9 -36.29 10.62 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.253 1.945 . . . . 0.0 116.253 -171.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.7 ptt-85 38.48 51.94 1.7 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.6 p -62.0 170.84 1.96 Allowed 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 91.8 t -50.01 -30.89 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.86 -15.28 54.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.9 p -61.43 -27.24 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 118.746 0.703 . . . . 0.0 111.227 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -77.06 -26.48 53.61 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.881 0.848 . . . . 0.0 109.501 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -122.46 24.53 9.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -170.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -35.06 61.55 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.522 0 CA-C-O 119.403 -0.332 . . . . 0.0 111.836 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.8 m80 48.5 54.75 9.99 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -40.42 -41.93 1.5 Allowed 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -59.16 -53.2 61.05 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 119.912 1.233 . . . . 0.0 110.209 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.13 -37.27 86.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.934 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -68.83 -47.98 64.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.256 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.9 mt -58.63 -45.71 88.64 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -56.4 -45.26 80.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.46 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.51 -38.07 30.48 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -68.38 -43.51 77.17 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.075 0.94 . . . . 0.0 108.646 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.76 -34.75 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.761 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -65.29 -34.95 79.54 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.845 -1.16 . . . . 0.0 110.979 177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.7 -48.44 66.55 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.54 -33.15 74.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 122.124 0.964 . . . . 0.0 110.343 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -65.45 -32.02 73.42 Favored 'General case' 0 C--O 1.207 -1.142 0 O-C-N 121.625 -0.672 . . . . 0.0 110.875 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -71.89 -42.96 66.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -55.05 -53.69 52.64 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.576 0.703 . . . . 0.0 110.184 172.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.08 87.31 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.243 0.544 . . . . 0.0 112.181 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.77 -39.82 95.37 Favored 'General case' 0 C--O 1.214 -0.778 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.577 ' HE ' ' HA ' ' A' ' 92' ' ' GLU . 26.9 tpt180 -65.68 -38.17 88.52 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.56 179.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.81 -40.19 91.61 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -64.22 -40.47 96.11 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.938 -0.476 . . . . 0.0 112.07 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -60.33 -43.29 96.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.156 0.503 . . . . 0.0 110.211 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.75 -33.69 66.51 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.857 -0.737 . . . . 0.0 109.459 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -63.58 -26.2 68.59 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 178.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -98.01 12.82 33.01 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.472 0.654 . . . . 0.0 110.14 175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.17 -128.96 2.68 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 116.255 1.262 . . . . 0.0 116.255 -179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.3 t -140.06 163.7 32.01 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.705 -0.88 . . . . 0.0 112.587 -174.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -82.31 -13.02 57.61 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.44 0.638 . . . . 0.0 111.092 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -75.82 105.45 6.86 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.45 94.11 5.15 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.903 -1.518 . . . . 0.0 106.903 168.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -140.68 165.44 27.49 Favored 'General case' 0 C--O 1.212 -0.908 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.2 t -50.6 -32.69 19.52 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -72.25 -2.57 19.44 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.492 -0.755 . . . . 0.0 112.735 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -138.38 36.47 2.28 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -53.22 -24.22 10.58 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-O 121.621 0.725 . . . . 0.0 111.783 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -50.4 -23.31 2.3 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 114.702 -1.136 . . . . 0.0 113.043 175.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.19 -60.85 2.03 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -74.52 -14.19 60.78 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 119.723 1.147 . . . . 0.0 110.214 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.21 -19.14 42.9 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 169.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.577 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 1.0 OUTLIER -56.86 -51.87 67.34 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 172.014 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.52 -35.19 79.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.61 -46.33 86.26 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.717 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -37.13 81.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 121.882 -0.511 . . . . 0.0 110.787 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.8 t -60.92 -45.11 98.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -57.95 -45.59 86.42 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.229 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -70.24 -31.12 68.37 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 119.586 -0.846 . . . . 0.0 111.898 -178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.02 -50.55 71.59 Favored 'General case' 0 C--O 1.248 0.988 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.41 -32.49 73.94 Favored 'General case' 0 C--O 1.22 -0.46 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.092 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.27 -36.44 81.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.029 -0.42 . . . . 0.0 110.58 177.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -42.34 93.41 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 107.246 -1.39 . . . . 0.0 107.246 176.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.66 95.2 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.38 0.61 . . . . 0.0 111.465 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -59.15 -44.78 92.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.149 0.5 . . . . 0.0 109.858 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -39.96 95.53 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.747 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -61.86 -46.25 90.25 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 65.2 tp -58.18 -41.81 84.69 Favored 'General case' 0 C--O 1.247 0.931 0 CA-C-O 120.557 0.218 . . . . 0.0 111.083 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -57.36 -50.71 72.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -34.15 73.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -74.64 -17.38 60.7 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.5 p -112.53 0.47 15.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 72.2 m -68.33 -1.72 6.91 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -176.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 66.88 -81.64 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 115.529 1.678 . . . . 0.0 115.529 175.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 55.86 23.55 6.6 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -176.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.023 . . . . . . . . 0 0 . 1 stop_ save_