data_1hcw_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1hcw _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.74 125.54 9.06 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 164.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.09 106.88 3.64 Favored Pre-proline 0 CA--C 1.592 2.562 0 N-CA-C 102.126 -3.287 . . . . 0.0 102.126 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 35.2 Cg_exo 60.84 -122.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.936 0 CA-C-N 126.997 3.535 . . . . 0.0 111.796 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 124.724 1.265 . . . . 0.0 109.74 166.326 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.57 1.731 0 N-CA-C 101.314 -3.587 . . . . 0.0 101.314 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -83.87 -124.52 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.794 1.637 . . . . 0.0 109.156 -167.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -111.6 -95.22 0.43 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.444 0.0 OUTLIER -141.6 -67.29 0.4 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-N 123.747 2.976 . . . . 0.0 114.141 -169.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.1 p -136.98 -28.7 0.94 Allowed 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.75 -37.32 81.41 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.19 -58.11 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.601 -169.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.52 -42.74 64.61 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.607 2.003 . . . . 0.0 114.976 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.24 65.23 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -67.22 -54.71 18.52 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 120.196 1.362 . . . . 0.0 112.265 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.39 -44.62 82.54 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.75 -2.071 . . . . 0.0 115.33 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.15 -29.69 63.06 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.669 2.031 . . . . 0.0 115.314 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.14 -38.09 75.41 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 116.575 -1.678 . . . . 0.0 113.531 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.89 -54.23 16.71 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 120.606 1.548 . . . . 0.0 114.935 169.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.07 106.92 4.89 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 -168.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.388 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.161 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.01 124.77 9.11 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 165.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -148.89 106.57 3.43 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.366 -3.568 . . . . 0.0 101.366 167.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.533 32.3 Cg_exo 62.59 -132.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.844 0 CA-C-N 126.425 3.33 . . . . 0.0 112.374 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.492 1.663 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 166.519 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.264 15.4 m . . . . . 0 CA--C 1.583 2.245 1 N-CA-C 99.59 -4.226 . . . . 0.0 99.59 . . . . . . . . . 2 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -82.77 -99.73 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 CA-C-O 116.93 -1.509 . . . . 0.0 109.573 -167.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 67.6 m -131.3 -109.68 0.25 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 40.2 ptt85 -163.82 107.54 0.98 Allowed 'General case' 0 C--N 1.37 1.494 0 CA-C-N 123.78 2.991 . . . . 0.0 111.079 -171.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p 35.44 46.34 0.27 Allowed 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -153.55 -45.6 0.09 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 127.225 2.21 . . . . 0.0 108.65 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.275 4.7 tp10 -67.59 -47.68 69.03 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 127.931 2.492 . . . . 0.0 115.821 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.56 -50.17 70.76 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.94 1.7 . . . . 0.0 114.35 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 169.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -67.12 -52.53 40.65 Favored 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 124.972 1.309 . . . . 0.0 111.859 168.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.72 -49.12 69.62 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 116.02 -1.943 . . . . 0.0 115.869 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.67 -29.7 67.21 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 121.115 1.78 . . . . 0.0 115.37 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -68.99 -37.46 78.75 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 116.57 -1.681 . . . . 0.0 113.563 167.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.27 -53.59 18.98 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -143.26 121.0 11.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -168.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 176.714 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.2 p90 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.34 120.77 22.83 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -169.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -111.93 109.67 54.82 Favored Pre-proline 0 CA--C 1.594 2.646 0 N-CA-C 101.005 -3.702 . . . . 0.0 101.005 170.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 62.0 Cg_endo 52.09 -102.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.772 0 C-N-CA 124.431 3.421 . . . . 0.0 113.202 -170.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.116 167.169 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 CA--C 1.563 1.461 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.84 -99.28 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 116.951 -1.499 . . . . 0.0 109.809 -167.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.0 m -133.54 -98.37 0.27 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 101.892 -3.373 . . . . 0.0 101.892 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.338 10.9 ptm180 -150.69 83.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 122.174 2.261 . . . . 0.0 109.89 -169.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.277 78.6 p 61.31 -38.6 0.11 Allowed 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.21 -31.49 67.39 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.68 -61.44 1.92 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.714 -1.612 . . . . 0.0 111.972 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.07 -50.9 8.28 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 121.427 1.921 . . . . 0.0 115.136 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -32.15 73.65 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.01 -54.74 18.75 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.144 1.377 . . . . 0.0 112.465 168.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.66 -46.43 89.77 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-O 115.771 -2.061 . . . . 0.0 115.278 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.49 -18.73 65.17 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 121.558 1.981 . . . . 0.0 116.257 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -72.32 -45.31 60.51 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.915 -1.517 . . . . 0.0 113.058 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.12 -54.41 11.16 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -140.71 119.38 12.42 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -167.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -179.02 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 119.805 -0.141 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.34 113.09 8.02 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 118.8 -2.438 . . . . 0.0 109.761 -166.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.2 t -106.02 109.63 63.33 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 55.6 Cg_endo 54.53 -100.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.839 0 CA-C-N 126.518 3.363 . . . . 0.0 112.965 -169.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.495 1.795 0 C-N-CA 123.986 0.914 . . . . 0.0 110.847 167.023 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 CA--C 1.565 1.537 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.67 -126.95 0.25 Allowed 'General case' 0 CA--C 1.59 2.482 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.7 m -120.03 142.14 49.1 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -64.59 -62.16 1.76 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -164.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -124.36 68.11 1.07 Allowed 'General case' 0 N--CA 1.503 2.216 0 CA-C-N 121.58 1.991 . . . . 0.0 115.027 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.04 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 127.69 2.396 . . . . 0.0 109.906 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.265 13.2 tp10 -70.51 -52.41 22.08 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 127.431 2.292 . . . . 0.0 115.698 -169.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.63 -41.92 92.08 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 121.294 1.861 . . . . 0.0 114.363 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -23.15 67.29 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 166.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.272 86.1 tttt -68.48 -57.75 5.35 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 125.355 1.462 . . . . 0.0 111.307 168.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.66 -43.34 84.84 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 115.731 -2.08 . . . . 0.0 116.29 175.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.12 -34.48 22.24 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.82 -41.28 87.73 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 116.696 -1.621 . . . . 0.0 114.267 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.46 -51.28 24.64 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 120.437 1.471 . . . . 0.0 113.981 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -141.84 119.16 11.49 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.11 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.48 126.55 31.23 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -169.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -123.83 103.38 34.1 Favored Pre-proline 0 CA--C 1.593 2.596 0 N-CA-C 100.55 -3.871 . . . . 0.0 100.55 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 32.3 Cg_exo 64.18 -105.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.794 0 CA-C-N 126.53 3.368 . . . . 0.0 110.472 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 CA--C 1.57 1.713 0 O-C-N 124.6 1.187 . . . . 0.0 109.754 166.121 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.565 1.535 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 13.6 m-85 -74.42 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 116.726 -1.607 . . . . 0.0 110.88 -166.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.273 15.1 t -138.68 -101.13 0.17 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 102.713 -3.069 . . . . 0.0 102.713 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.0 ptt85 -150.89 85.65 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.282 2.31 . . . . 0.0 109.702 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t 31.62 51.58 0.17 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -135.97 -30.54 0.96 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.798 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -79.84 -57.45 3.65 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 116.521 -1.704 . . . . 0.0 111.756 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -41.83 -49.12 4.44 Favored 'General case' 0 N--CA 1.506 2.338 0 CA-C-N 121.709 2.049 . . . . 0.0 115.36 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.39 -29.09 66.77 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 118.132 2.642 . . . . 0.0 118.132 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.69 -55.26 13.91 Favored 'General case' 0 CA--C 1.582 2.188 0 C-N-CA 124.879 1.272 . . . . 0.0 112.019 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.77 -47.8 71.05 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 115.684 -2.103 . . . . 0.0 114.941 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.71 -30.48 67.04 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 121.825 2.102 . . . . 0.0 115.307 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.35 -36.62 77.05 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.544 166.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.6 -52.73 23.41 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -132.91 -52.33 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -167.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 126.69 1.996 . . . . 0.0 114.063 -174.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.49 124.98 8.9 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 104.899 -2.259 . . . . 0.0 104.899 162.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.74 110.15 4.82 Favored Pre-proline 0 CA--C 1.591 2.524 0 CA-C-O 113.427 -3.178 . . . . 0.0 104.106 167.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.41 22.3 Cg_exo 45.59 52.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 0 CA-C-N 127.827 3.831 . . . . 0.0 117.692 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.29 62.8 p . . . . . 0 N--CA 1.504 2.228 0 C-N-CA 126.094 1.758 . . . . 0.0 115.719 -165.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.566 1.573 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -98.0 -112.29 0.16 Allowed 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 -171.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 137.56 23.24 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.756 2.023 . . . . 0.0 106.052 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -34.14 93.44 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 -167.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p 41.3 56.94 3.03 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -141.51 -37.39 0.42 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.536 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.21 -53.29 17.69 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.159 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.13 -45.21 68.24 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 121.784 2.084 . . . . 0.0 114.624 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.73 64.37 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -54.76 15.76 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-N 120.179 1.354 . . . . 0.0 112.21 169.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.32 -45.47 76.35 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 115.543 -2.17 . . . . 0.0 115.302 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.94 -26.63 65.17 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 121.987 2.176 . . . . 0.0 116.218 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -38.06 71.91 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.607 1.548 . . . . 0.0 114.965 166.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.56 -54.86 12.05 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -141.76 106.38 4.87 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 -168.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -177.377 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.75 126.59 11.11 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 163.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -135.93 90.07 19.65 Favored Pre-proline 0 CA--C 1.593 2.62 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 166.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.428 57.1 Cg_endo 44.61 63.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 C-N-CA 124.893 3.728 . . . . 0.0 116.588 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.292 59.3 p . . . . . 0 CA--C 1.581 2.154 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -166.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 CA--C 1.574 1.897 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -124.27 -127.96 0.25 Allowed 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -139.03 124.28 19.12 Favored 'General case' 0 N--CA 1.473 0.708 1 N-CA-C 99.54 -4.244 . . . . 0.0 99.54 166.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.469 20.1 ptt-85 -22.14 -50.15 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.108 1 N-CA-C 124.891 5.145 . . . . 0.0 124.891 -160.894 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -131.16 -42.59 1.08 Allowed 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -172.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.96 -31.66 73.01 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.04 -63.7 1.09 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.801 -169.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.26 6.9 tt -52.0 -43.26 63.56 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 121.272 1.851 . . . . 0.0 114.883 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.3 69.35 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.842 2.534 . . . . 0.0 117.842 167.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.98 -54.09 17.13 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 124.751 1.22 . . . . 0.0 111.931 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.13 -40.63 78.16 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 114.742 -2.552 . . . . 0.0 116.006 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.22 -38.39 87.83 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-N 123.205 2.73 . . . . 0.0 115.813 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.26 42.7 ptt85 -62.78 -40.42 97.26 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 167.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.81 -53.58 31.37 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.31 106.86 4.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -177.588 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.31 125.66 9.41 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 162.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 t -137.59 106.91 8.39 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 166.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 38.5 Cg_exo 61.18 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.874 0 CA-C-N 127.566 3.738 . . . . 0.0 111.266 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 CA--C 1.569 1.673 0 O-C-N 124.568 1.167 . . . . 0.0 110.416 166.39 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.567 1.6 0 N-CA-C 105.064 -2.199 . . . . 0.0 105.064 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -95.48 -113.82 0.12 Allowed 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -150.74 116.57 5.53 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 23.74 67.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 120.482 3.512 . . . . 0.0 120.482 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 7.9 t 64.18 -40.75 0.24 Allowed 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -48.32 -24.25 1.15 Allowed 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 119.944 3.312 . . . . 0.0 119.944 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -87.1 -64.79 1.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.084 -2.389 . . . . 0.0 111.314 -168.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.7 -32.19 65.23 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 123.229 2.74 . . . . 0.0 116.053 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.84 68.21 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 166.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 86.3 tttt -72.05 -60.07 2.42 Favored 'General case' 0 CA--C 1.583 2.213 0 C-N-CA 125.605 1.562 . . . . 0.0 110.647 167.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -53.04 -40.94 64.31 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.99 -34.97 79.21 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 121.193 1.815 . . . . 0.0 115.718 171.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -60.23 -43.25 96.2 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.25 -54.13 10.48 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 169.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -141.27 120.59 13.07 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -167.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -179.501 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.28 133.62 15.37 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.29 1.859 . . . . 0.0 106.653 168.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -124.06 105.29 31.89 Favored Pre-proline 0 CA--C 1.591 2.55 0 N-CA-C 102.059 -3.311 . . . . 0.0 102.059 167.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.5 Cg_exo 64.01 -103.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.886 0 CA-C-N 126.92 3.507 . . . . 0.0 110.218 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 CA--C 1.568 1.669 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.79 166.013 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.561 1.383 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.271 13.5 m-85 -100.45 -104.7 0.24 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 -175.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -142.27 124.67 15.65 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 121.575 1.988 . . . . 0.0 106.585 168.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -21.01 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -168.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 14.5 m 66.42 -36.32 0.25 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -46.49 -31.66 2.86 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 119.445 3.128 . . . . 0.0 119.445 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -87.59 -47.88 8.35 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 115.411 -2.233 . . . . 0.0 113.748 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.28 -34.65 78.84 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 122.32 2.327 . . . . 0.0 115.138 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.78 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 116.615 2.079 . . . . 0.0 116.615 167.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -65.26 -43.13 92.29 Favored 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 125.897 1.679 . . . . 0.0 113.376 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.91 -41.57 59.46 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 115.56 -2.162 . . . . 0.0 115.056 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.61 -36.61 81.23 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 121.891 2.132 . . . . 0.0 116.351 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.03 -36.12 81.41 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 116.607 -1.663 . . . . 0.0 114.419 167.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.43 -53.64 27.34 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -142.87 107.55 4.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 104.211 -2.515 . . . . 0.0 104.211 -168.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -178.128 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.87 127.72 9.57 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 164.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.05 105.67 5.69 Favored Pre-proline 0 CA--C 1.592 2.572 0 N-CA-C 102.815 -3.031 . . . . 0.0 102.815 166.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.523 34.2 Cg_exo 61.7 -110.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.932 0 CA-C-N 127.386 3.674 . . . . 0.0 111.312 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 CA--C 1.571 1.754 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 166.399 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 CA--C 1.576 1.943 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -102.1 -124.74 0.19 Allowed 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -168.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 75.3 m -130.33 -110.83 0.26 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.341 14.7 ptp180 -139.66 78.49 1.67 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 122.788 2.54 . . . . 0.0 109.837 -169.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m 19.38 50.49 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.109 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -170.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -112.78 -35.96 5.31 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.166 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.251 12.1 pt-20 -81.51 -64.32 1.21 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 126.163 1.785 . . . . 0.0 113.018 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.44 -45.66 56.02 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.57 68.97 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 168.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.92 -51.56 25.29 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.747 168.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.92 -45.19 93.36 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 115.455 -2.212 . . . . 0.0 116.497 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.12 -37.51 85.89 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 122.194 2.27 . . . . 0.0 116.186 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -65.55 -36.77 84.78 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 116.695 -1.622 . . . . 0.0 114.623 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.68 -54.55 15.6 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 120.415 1.462 . . . . 0.0 114.865 169.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -143.65 107.94 4.78 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -168.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 178.51 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.68 125.78 9.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 164.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t -137.97 105.87 8.1 Favored Pre-proline 0 CA--C 1.59 2.519 0 N-CA-C 102.524 -3.139 . . . . 0.0 102.524 166.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 31.4 Cg_exo 63.15 -109.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.928 0 CA-C-N 126.989 3.532 . . . . 0.0 110.854 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 CA--C 1.57 1.733 0 O-C-N 124.575 1.172 . . . . 0.0 110.709 166.121 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 m . . . . . 0 CA--C 1.583 2.245 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -122.22 -119.59 0.29 Allowed 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.043 -168.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -115.54 -78.52 0.58 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 115.919 -1.991 . . . . 0.0 107.0 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.467 20.7 ptt-85 -151.0 -71.73 0.17 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.045 2.657 . . . . 0.0 112.418 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -136.95 -30.7 0.86 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.8 -26.61 47.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 170.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -80.22 -64.12 1.26 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 115.813 -2.042 . . . . 0.0 112.008 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -37.78 71.94 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.458 2.39 . . . . 0.0 115.659 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.48 69.87 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 166.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.8 -57.3 5.26 Favored 'General case' 0 CA--C 1.582 2.21 0 C-N-CA 125.037 1.335 . . . . 0.0 111.01 167.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.53 -36.76 84.86 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 115.258 -2.306 . . . . 0.0 116.718 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.19 -36.38 75.25 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.366 2.348 . . . . 0.0 117.182 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -64.47 -39.35 93.65 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.909 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.22 -53.45 19.86 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -143.43 119.67 10.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -167.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.509 2.516 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 p 25.92 118.09 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -167.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -140.81 106.54 6.34 Favored Pre-proline 0 CA--C 1.595 2.707 0 N-CA-C 100.947 -3.723 . . . . 0.0 100.947 166.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 31.5 Cg_exo 64.5 -119.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.897 0 CA-C-N 126.791 3.461 . . . . 0.0 111.342 -176.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.492 1.632 0 O-C-N 124.625 1.203 . . . . 0.0 110.432 167.011 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 CA--C 1.575 1.917 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -82.72 -109.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 116.941 -1.504 . . . . 0.0 109.38 -167.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 48.7 m -131.75 -101.95 0.28 Allowed 'General case' 0 C--N 1.359 0.994 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.327 36.0 ptt180 -152.28 88.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.973 2.624 . . . . 0.0 110.128 -168.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.13 50.69 0.25 Allowed 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 119.208 3.04 . . . . 0.0 119.208 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -138.04 -42.57 0.52 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.583 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.3 -39.02 93.07 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 115.735 -2.079 . . . . 0.0 116.135 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.81 -48.74 75.62 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 121.849 2.113 . . . . 0.0 113.842 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.01 -32.13 72.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -66.65 -52.68 42.26 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 124.729 1.211 . . . . 0.0 111.841 167.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.57 -41.3 76.02 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 115.207 -2.33 . . . . 0.0 116.103 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.13 -37.26 86.8 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-N 122.269 2.304 . . . . 0.0 116.186 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.96 -36.64 83.89 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.643 -1.646 . . . . 0.0 114.549 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.72 -53.88 23.88 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.6 107.75 4.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 -177.866 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.85 125.8 9.13 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 164.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -139.98 107.24 6.86 Favored Pre-proline 0 CA--C 1.591 2.551 0 N-CA-C 102.287 -3.227 . . . . 0.0 102.287 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 38.0 Cg_exo 61.54 -112.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.937 0 CA-C-N 127.308 3.646 . . . . 0.0 111.202 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 CA--C 1.569 1.698 0 O-C-N 124.612 1.195 . . . . 0.0 110.351 166.155 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.574 1.903 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -106.79 -127.82 0.26 Allowed 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 125.029 1.331 . . . . 0.0 108.449 -166.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 t -102.08 -83.73 0.46 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.46 25.5 ptt180 -149.96 -70.25 0.19 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 122.965 2.62 . . . . 0.0 112.735 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -134.91 -27.55 1.26 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.28 -40.45 81.93 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 170.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.63 -47.48 59.84 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 115.672 -2.109 . . . . 0.0 115.56 -169.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.26 -44.17 88.96 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 122.733 2.515 . . . . 0.0 114.047 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.18 70.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 117.803 2.519 . . . . 0.0 117.803 167.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -71.06 -62.33 1.44 Allowed 'General case' 0 CA--C 1.576 1.955 0 C-N-CA 125.18 1.392 . . . . 0.0 110.89 167.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.26 -22.54 66.32 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.907 -2.949 . . . . 0.0 117.446 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.32 -39.73 95.36 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 124.406 3.275 . . . . 0.0 116.931 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.14 -40.58 96.46 Favored 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 117.031 -1.461 . . . . 0.0 114.865 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -67.43 -52.58 37.94 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.89 107.45 4.82 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 -168.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -176.082 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.7 112.89 12.54 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -171.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -110.04 101.96 49.19 Favored Pre-proline 0 CA--C 1.593 2.616 0 N-CA-C 100.271 -3.974 . . . . 0.0 100.271 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.527 46.3 Cg_exo 66.17 -107.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.744 0 CA-C-N 126.204 3.252 . . . . 0.0 110.143 -171.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.567 1.632 0 O-C-N 124.471 1.107 . . . . 0.0 109.662 166.15 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 CA--C 1.561 1.393 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 0.3 OUTLIER -90.71 -120.98 0.07 Allowed 'General case' 0 CA--C 1.585 2.316 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -168.038 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -132.89 121.65 23.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 102.938 -2.986 . . . . 0.0 102.938 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -39.65 -51.06 2.3 Favored 'General case' 0 CA--C 1.562 1.409 1 N-CA-C 123.014 4.45 . . . . 0.0 123.014 -163.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -106.75 -48.02 3.61 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 119.043 2.979 . . . . 0.0 119.043 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.51 -15.39 63.64 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -117.03 148.21 41.68 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.121 1.368 . . . . 0.0 108.309 -171.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.379 5.9 tp 61.33 -30.47 0.07 Allowed 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 -167.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.82 88.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.338 1.426 . . . . 0.0 114.723 164.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.37 -45.55 72.48 Favored 'General case' 0 CA--C 1.574 1.886 0 C-N-CA 125.523 1.529 . . . . 0.0 112.597 169.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.22 -43.64 86.08 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.707 -2.092 . . . . 0.0 115.605 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.81 -37.15 83.35 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-N 121.69 2.041 . . . . 0.0 116.276 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.2 -36.72 83.8 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.447 168.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.22 -53.72 27.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.76 4.99 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 -168.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -177.63 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 33.37 111.54 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.977 2.911 . . . . 0.0 115.141 -165.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 t -117.31 105.45 48.64 Favored Pre-proline 0 CA--C 1.593 2.63 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 32.4 Cg_exo 62.38 -100.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.791 0 CA-C-N 126.981 3.529 . . . . 0.0 110.526 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 CA--C 1.572 1.815 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.55 166.265 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 CA--C 1.568 1.665 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -118.03 -123.86 0.29 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 -168.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.8 m -152.71 114.62 4.36 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 14.96 64.3 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 120.4 3.481 . . . . 0.0 120.4 169.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t 30.29 43.96 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 121.704 3.965 . . . . 0.0 121.704 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -105.4 -38.42 6.49 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.237 164.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.06 -57.76 3.75 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.078 -1.915 . . . . 0.0 115.12 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.42 -40.85 75.41 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.499 2.409 . . . . 0.0 115.742 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -27.19 68.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -72.91 -52.19 15.66 Favored 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 117.265 -1.35 . . . . 0.0 111.254 167.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.92 -42.45 99.11 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 115.512 -2.185 . . . . 0.0 116.858 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.05 -42.92 86.43 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 122.113 2.233 . . . . 0.0 115.946 -175.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.256 34.4 ptt180 -65.44 -39.89 92.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 167.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.72 -49.0 76.8 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.312 54.9 m-70 -123.57 -116.04 0.3 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 116.633 -1.651 . . . . 0.0 106.554 -167.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 121.967 2.167 . . . . 0.0 114.638 -172.473 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.95 125.72 9.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -138.57 107.04 7.71 Favored Pre-proline 0 CA--C 1.59 2.506 0 N-CA-C 102.446 -3.168 . . . . 0.0 102.446 166.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 35.3 Cg_exo 61.83 -110.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.966 0 CA-C-N 127.332 3.654 . . . . 0.0 111.187 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 CA--C 1.568 1.652 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 166.18 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.573 1.851 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -106.54 -122.63 0.23 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 124.853 1.261 . . . . 0.0 108.354 -167.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -108.97 -81.35 0.57 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 115.679 -2.105 . . . . 0.0 105.938 172.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.465 7.0 ptm180 -150.3 -71.15 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 123.318 2.781 . . . . 0.0 113.098 -177.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.1 p -135.6 -29.54 1.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.77 -34.83 73.51 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.24 -60.32 2.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 115.86 -2.019 . . . . 0.0 113.945 -169.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.79 -41.1 85.9 Favored 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 122.289 2.313 . . . . 0.0 114.978 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.66 -29.01 70.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 167.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -70.45 -56.99 5.29 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 124.929 1.291 . . . . 0.0 111.396 167.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.97 -28.32 65.44 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 114.567 -2.635 . . . . 0.0 116.398 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.1 -38.81 87.63 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 123.452 2.842 . . . . 0.0 116.971 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -39.57 94.16 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.945 -1.503 . . . . 0.0 114.865 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -66.89 -53.2 34.54 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 169.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -141.92 107.33 5.03 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 104.173 -2.528 . . . . 0.0 104.173 -168.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -177.508 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.2 124.51 8.85 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 163.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.76 106.21 10.69 Favored Pre-proline 0 CA--C 1.59 2.514 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 166.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 31.3 Cg_exo 62.93 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.923 0 CA-C-N 127.109 3.575 . . . . 0.0 110.743 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.568 1.652 0 O-C-N 124.693 1.246 . . . . 0.0 110.189 166.012 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.576 1.956 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -126.45 -130.85 0.24 Allowed 'General case' 0 CA--C 1.583 2.222 0 C-N-CA 124.854 1.262 . . . . 0.0 108.101 -166.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m -102.35 -102.28 0.28 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 102.134 -3.284 . . . . 0.0 102.134 168.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.407 10.8 ptm180 -153.34 -58.93 0.13 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 125.385 3.72 . . . . 0.0 117.147 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -124.75 -41.64 2.11 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.74 -37.39 84.56 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.259 16.7 tp10 -71.18 -51.45 24.76 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -167.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.5 -46.82 88.72 Favored 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 122.058 2.208 . . . . 0.0 114.351 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -22.13 66.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 50.6 tttp -67.04 -54.29 23.01 Favored 'General case' 0 CA--C 1.577 2.018 0 C-N-CA 125.239 1.415 . . . . 0.0 112.087 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.38 -46.5 83.06 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 115.786 -2.054 . . . . 0.0 116.03 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.52 -36.04 76.05 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.731 2.059 . . . . 0.0 114.788 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.95 -37.4 87.52 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.866 -1.54 . . . . 0.0 114.48 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.04 -51.69 44.03 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -141.08 107.54 5.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 -168.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -177.815 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.102 0.477 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.22 124.78 9.67 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 161.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.5 105.21 13.18 Favored Pre-proline 0 CA--C 1.591 2.546 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 167.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.513 31.6 Cg_exo 63.07 -101.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.944 0 CA-C-N 127.191 3.604 . . . . 0.0 110.618 -176.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.493 1.681 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.71 165.787 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.57 1.713 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.26 -130.05 0.21 Allowed 'General case' 0 CA--C 1.591 2.541 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -119.24 148.97 42.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.558 2.343 . . . . 0.0 105.022 167.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -59.3 -53.98 52.0 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 119.364 3.098 . . . . 0.0 119.364 -164.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -122.89 -44.09 2.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.24 -13.58 62.11 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 173.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.32 4.1 tp10 -103.55 -73.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.71 -2.09 . . . . 0.0 111.797 -167.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -57.99 -31.55 67.03 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 122.879 2.581 . . . . 0.0 115.348 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.51 69.95 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 165.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -47.56 58.97 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.22 1.408 . . . . 0.0 113.03 168.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.15 -46.39 81.1 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 115.949 -1.977 . . . . 0.0 115.377 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.36 -37.06 81.98 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -66.39 -36.66 83.41 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 116.669 -1.634 . . . . 0.0 114.424 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.2 -53.69 27.99 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.82 5.01 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.813 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.506 2.362 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.35 123.67 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 129.405 3.082 . . . . 0.0 116.079 -166.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -151.25 113.14 3.05 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 102.847 -3.02 . . . . 0.0 102.847 168.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.408 25.0 Cg_exo 48.13 50.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 CA-C-N 127.43 3.689 . . . . 0.0 117.491 173.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.285 69.9 p . . . . . 0 N--CA 1.504 2.237 0 C-N-CA 126.024 1.73 . . . . 0.0 115.611 -165.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 CA--C 1.571 1.756 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -86.79 -118.58 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 117.389 -1.291 . . . . 0.0 108.159 -167.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -110.15 -93.4 0.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 101.77 -3.418 . . . . 0.0 101.77 169.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.443 14.2 ptp180 -143.36 -65.85 0.38 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 122.809 2.55 . . . . 0.0 113.688 -171.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 t -136.57 -30.29 0.92 Allowed 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.43 -37.69 75.92 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.392 2.368 . . . . 0.0 117.392 171.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -71.96 -49.88 33.61 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 115.64 -2.124 . . . . 0.0 115.151 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.21 -42.9 99.36 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 121.994 2.179 . . . . 0.0 114.486 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.11 77.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 168.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -66.45 -49.31 67.11 Favored 'General case' 0 CA--C 1.582 2.194 0 C-N-CA 124.949 1.299 . . . . 0.0 111.99 166.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.15 -39.18 63.45 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 115.118 -2.373 . . . . 0.0 115.585 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.98 -31.11 70.71 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 122.396 2.362 . . . . 0.0 116.917 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -66.13 -42.44 89.13 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 116.653 -1.641 . . . . 0.0 114.327 169.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.51 -52.08 17.26 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.579 1.536 . . . . 0.0 113.854 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -141.28 119.61 12.22 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.218 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 p90 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 126.47 31.08 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -169.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -136.47 110.18 9.62 Favored Pre-proline 0 CA--C 1.594 2.668 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.417 24.7 Cg_exo 49.36 46.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.675 0 CA-C-N 127.067 3.56 . . . . 0.0 117.616 175.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.313 34.6 t . . . . . 0 N--CA 1.507 2.405 0 C-N-CA 125.848 1.659 . . . . 0.0 114.518 -165.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 CA--C 1.568 1.641 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.276 7.2 m-85 -76.3 -96.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.902 -165.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 19.1 t -136.08 -95.93 0.24 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 172.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.512 28.0 ptt180 -136.76 -88.16 0.3 Allowed 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 122.273 2.306 . . . . 0.0 109.243 -169.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -140.28 77.91 1.63 Allowed 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 121.61 2.005 . . . . 0.0 110.011 169.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -158.77 -33.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 127.029 2.131 . . . . 0.0 111.629 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.4 -62.97 1.47 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 115.969 -1.967 . . . . 0.0 111.681 -168.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -46.44 -42.05 14.75 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 122.396 2.362 . . . . 0.0 116.019 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.95 73.67 Favored 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 168.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.61 -58.18 5.14 Favored 'General case' 0 CA--C 1.585 2.305 0 C-N-CA 125.532 1.533 . . . . 0.0 111.532 167.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -37.78 88.79 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 114.704 -2.57 . . . . 0.0 116.232 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.13 -29.97 67.79 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-N 123.073 2.67 . . . . 0.0 117.42 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -66.9 -43.12 84.21 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 116.854 -1.546 . . . . 0.0 114.316 169.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -54.72 12.63 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -139.4 107.29 5.67 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -167.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -177.988 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.28 116.0 15.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.04 -1.038 . . . . 0.0 108.44 -168.462 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.6 t -107.85 103.47 49.75 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 100.673 -3.825 . . . . 0.0 100.673 173.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.526 48.2 Cg_exo 66.5 -106.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.79 0 CA-C-N 126.26 3.271 . . . . 0.0 110.073 -171.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.567 1.604 0 O-C-N 124.567 1.167 . . . . 0.0 109.194 166.138 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 CA--C 1.57 1.712 0 N-CA-C 102.049 -3.315 . . . . 0.0 102.049 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.86 -126.02 0.12 Allowed 'General case' 0 CA--C 1.586 2.346 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -169.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -118.71 123.67 45.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 166.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.272 43.7 mtm180 -48.67 -61.45 2.02 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -161.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p -122.31 68.23 0.94 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.118 1.781 . . . . 0.0 114.521 -171.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -172.53 -41.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 127.124 2.17 . . . . 0.0 110.875 169.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.269 5.3 tp10 -70.09 -62.09 1.52 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.165 2.186 . . . . 0.0 115.966 -167.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.68 -35.36 79.95 Favored 'General case' 0 N--CA 1.504 2.249 0 CA-C-N 121.587 1.994 . . . . 0.0 114.611 176.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -28.63 70.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 165.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -70.34 -51.29 31.15 Favored 'General case' 0 CA--C 1.581 2.158 0 C-N-CA 124.994 1.318 . . . . 0.0 111.202 165.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.95 -43.05 93.97 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.02 -34.73 70.37 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.06 -38.17 87.65 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 116.762 -1.59 . . . . 0.0 114.526 168.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.68 -54.21 14.95 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 169.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -144.03 118.62 9.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -168.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.159 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.21 115.09 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 129.398 3.079 . . . . 0.0 114.926 -164.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.71 105.78 20.85 Favored Pre-proline 0 CA--C 1.594 2.652 0 N-CA-C 100.983 -3.71 . . . . 0.0 100.983 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 31.2 Cg_exo 62.06 -102.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.836 0 CA-C-N 127.153 3.59 . . . . 0.0 110.668 -174.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 CA--C 1.571 1.759 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.23 166.321 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.563 1.477 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.04 -115.55 0.25 Allowed 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.342 68.5 m -112.53 -120.91 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 168.089 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.34 57.7 mtp85 -131.55 -113.05 0.24 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 115.363 -2.256 . . . . 0.0 107.307 -164.579 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -84.58 -28.77 26.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 118.129 2.64 . . . . 0.0 118.129 -175.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.95 -39.45 92.15 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 169.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.09 155.38 30.6 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.814 1.245 . . . . 0.0 110.764 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.386 0.6 OUTLIER 75.37 -47.28 0.6 Allowed 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 -169.168 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.66 73.73 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 164.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -69.5 -55.19 10.92 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 125.385 1.474 . . . . 0.0 110.575 165.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.89 -38.38 82.94 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 115.171 -2.347 . . . . 0.0 117.146 -177.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.92 -35.73 82.08 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 122.415 2.371 . . . . 0.0 115.805 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -63.83 -39.49 94.34 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.92 -1.514 . . . . 0.0 114.67 168.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.1 -54.57 14.32 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -141.6 105.84 4.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 -168.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -176.974 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.54 125.39 9.8 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 162.648 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.1 105.35 9.54 Favored Pre-proline 0 CA--C 1.591 2.539 0 N-CA-C 102.375 -3.194 . . . . 0.0 102.375 166.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 34.1 Cg_exo 62.29 -106.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.91 0 CA-C-N 127.329 3.653 . . . . 0.0 110.808 -176.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.57 1.735 0 O-C-N 124.626 1.204 . . . . 0.0 110.231 165.994 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.57 1.713 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -126.48 -131.04 0.24 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -173.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.5 m -113.8 143.76 44.12 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.713 2.405 . . . . 0.0 105.372 168.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -52.2 -53.71 40.0 Favored 'General case' 0 CA--C 1.561 1.377 1 N-CA-C 122.178 4.14 . . . . 0.0 122.178 -164.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -122.43 -48.16 2.08 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -168.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.57 -33.66 75.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.266 4.8 tp10 -70.98 -59.94 2.51 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.943 -1.979 . . . . 0.0 115.354 -168.203 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.63 -39.74 92.37 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 122.125 2.239 . . . . 0.0 114.855 177.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.08 -29.32 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 166.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -69.31 -53.51 19.3 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 125.092 1.357 . . . . 0.0 111.587 166.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.0 -40.96 97.41 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.53 -38.98 89.4 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 178.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.263 34.4 ptt180 -62.78 -40.86 98.6 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 167.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.91 -52.53 49.16 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -141.95 107.09 4.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -168.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -177.788 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.69 125.56 9.79 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 164.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -149.71 107.25 3.28 Favored Pre-proline 0 CA--C 1.593 2.626 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 167.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.535 29.5 Cg_exo 60.32 -125.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.885 0 CA-C-N 127.044 3.552 . . . . 0.0 112.082 178.406 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 N--CA 1.492 1.655 0 O-C-N 124.726 1.266 . . . . 0.0 110.032 166.415 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p . . . . . 0 CA--C 1.574 1.873 1 N-CA-C 100.112 -4.033 . . . . 0.0 100.112 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -85.68 -127.16 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.78 1.632 . . . . 0.0 109.087 -166.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -111.28 -95.48 0.43 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 101.6 -3.482 . . . . 0.0 101.6 169.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.451 14.5 ptp180 -141.74 -68.14 0.38 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 123.897 3.044 . . . . 0.0 114.019 -169.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -136.23 -28.21 1.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 177.227 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.45 -39.14 82.65 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 169.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.4 -58.67 3.7 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 116.437 -1.745 . . . . 0.0 114.802 -169.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -53.28 -43.12 67.24 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 121.594 1.997 . . . . 0.0 114.942 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.93 64.91 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 169.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -66.66 -54.85 18.79 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 120.307 1.412 . . . . 0.0 112.284 168.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.55 -44.67 81.71 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 115.749 -2.072 . . . . 0.0 115.359 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.93 -29.9 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.676 2.035 . . . . 0.0 115.308 174.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.86 -38.12 76.32 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.705 167.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.77 -54.04 18.31 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -142.08 107.11 4.93 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -168.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.509 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.0 125.7 8.98 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 163.343 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -139.34 107.9 7.3 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 166.068 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 38.1 Cg_exo 60.79 -109.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 CA-C-N 127.464 3.702 . . . . 0.0 111.446 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.569 1.697 0 O-C-N 124.649 1.218 . . . . 0.0 110.121 166.388 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 CA--C 1.568 1.666 0 N-CA-C 104.095 -2.558 . . . . 0.0 104.095 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -93.44 -117.2 0.09 Allowed 'General case' 0 CA--C 1.572 1.808 0 C-N-CA 125.176 1.391 . . . . 0.0 108.513 -167.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 57.4 m -130.16 -102.07 0.3 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.33 23.2 ptt-85 -149.53 87.18 1.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 123.34 2.791 . . . . 0.0 110.496 -168.28 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m 33.12 50.73 0.25 Allowed 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -177.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.75 -33.01 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.166 171.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -75.82 -59.3 2.81 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.36 -169.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -50.58 -43.01 56.31 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 122.313 2.324 . . . . 0.0 115.518 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -30.86 69.81 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 168.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.39 -54.24 18.53 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.711 1.204 . . . . 0.0 112.29 168.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.22 -40.02 90.03 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 114.945 -2.455 . . . . 0.0 116.113 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.74 -37.8 88.71 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 122.797 2.544 . . . . 0.0 116.468 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.43 -37.51 87.14 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 116.81 -1.567 . . . . 0.0 114.686 168.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.39 -53.95 24.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 169.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.42 107.51 4.95 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 -168.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -177.641 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -73.53 125.93 29.09 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.281 -0.887 . . . . 0.0 112.318 -168.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 37.4 t -149.88 106.43 3.23 Favored Pre-proline 0 CA--C 1.596 2.743 0 N-CA-C 101.016 -3.698 . . . . 0.0 101.016 167.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 33.4 Cg_exo 62.25 -136.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.792 0 CA-C-N 126.606 3.395 . . . . 0.0 112.889 -178.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.494 1.738 0 O-C-N 124.282 0.988 . . . . 0.0 110.871 166.981 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 CA--C 1.579 2.086 1 N-CA-C 100.12 -4.03 . . . . 0.0 100.12 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.266 4.0 m-85 -77.8 -100.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.981 -166.756 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.261 8.1 t -141.1 -100.87 0.14 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.2 ptt85 -151.95 87.17 1.33 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 122.234 2.288 . . . . 0.0 109.861 -169.141 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.44 54.69 0.48 Allowed 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -174.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.92 -48.15 0.32 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 126.217 1.807 . . . . 0.0 110.381 173.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -61.2 -43.58 98.66 Favored 'General case' 0 CA--C 1.568 1.652 0 C-N-CA 126.699 2.0 . . . . 0.0 115.425 175.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.82 -50.68 73.07 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.466 1.484 . . . . 0.0 113.388 175.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.04 66.17 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 169.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -66.86 -57.07 7.72 Favored 'General case' 0 CA--C 1.576 1.962 0 CA-C-N 120.08 1.309 . . . . 0.0 112.281 169.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.51 -44.01 75.57 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 115.331 -2.271 . . . . 0.0 115.856 178.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.78 -37.89 76.52 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.438 2.381 . . . . 0.0 115.263 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -66.42 -36.08 81.91 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.62 -1.657 . . . . 0.0 114.404 167.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.78 -53.72 24.97 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 169.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.08 107.67 5.08 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 104.289 -2.485 . . . . 0.0 104.289 -168.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -177.528 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.512 2.637 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.64 128.88 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 129.609 3.164 . . . . 0.0 116.639 -167.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -155.31 107.44 2.24 Favored Pre-proline 0 CA--C 1.597 2.776 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 167.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.528 36.1 Cg_exo 64.36 -120.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 CA-C-N 126.962 3.522 . . . . 0.0 111.375 -177.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.568 1.666 0 O-C-N 124.664 1.228 . . . . 0.0 109.815 166.688 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.559 1.327 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.57 -109.62 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.059 0 CA-C-O 117.096 -1.431 . . . . 0.0 107.197 -168.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -154.94 133.89 12.25 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.019 2.128 . . . . 0.0 105.549 172.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -33.58 92.63 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 N-CA-C 120.613 3.56 . . . . 0.0 120.613 -167.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t 45.06 58.39 4.09 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 174.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -145.48 -40.15 0.24 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 113.007 -1.906 . . . . 0.0 110.285 168.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.43 -48.46 72.67 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.171 1.788 . . . . 0.0 114.861 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.19 -47.84 77.54 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 121.368 1.895 . . . . 0.0 114.29 175.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -28.05 64.82 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 169.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.19 -56.32 9.15 Favored 'General case' 0 CA--C 1.578 2.023 0 CA-C-N 120.072 1.306 . . . . 0.0 112.113 169.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.4 -46.12 77.66 Favored 'General case' 0 CA--C 1.565 1.537 0 CA-C-O 115.551 -2.166 . . . . 0.0 115.517 177.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.2 -29.03 64.66 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 121.98 2.173 . . . . 0.0 115.493 176.215 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -69.83 -38.07 76.41 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.678 -1.63 . . . . 0.0 113.567 167.513 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -53.6 18.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 169.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -142.83 120.97 12.17 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -167.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.151 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.46 125.41 9.86 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 163.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -144.02 106.92 4.91 Favored Pre-proline 0 CA--C 1.595 2.676 0 N-CA-C 101.349 -3.574 . . . . 0.0 101.349 166.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.536 34.9 Cg_exo 63.38 -129.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.905 0 CA-C-N 126.562 3.379 . . . . 0.0 111.996 -177.837 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.492 1.628 0 O-C-N 124.527 1.142 . . . . 0.0 109.725 166.715 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.25 19.0 m . . . . . 0 CA--C 1.579 2.071 1 N-CA-C 99.991 -4.077 . . . . 0.0 99.991 . . . . . . . . . 2 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -80.37 -102.27 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.038 0 CA-C-O 116.744 -1.598 . . . . 0.0 109.48 -168.121 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 45.4 m -132.56 -93.65 0.35 Allowed 'General case' 0 C--N 1.359 1.015 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 173.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.522 3.4 ptm85 -135.62 -108.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 114.983 -2.437 . . . . 0.0 108.029 -168.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -126.96 72.39 1.36 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 123.17 2.714 . . . . 0.0 110.406 169.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.62 -38.18 0.2 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.706 2.002 . . . . 0.0 110.835 172.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -73.26 -47.68 41.05 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 115.431 -2.223 . . . . 0.0 114.845 -170.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.67 -41.72 98.15 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 122.553 2.433 . . . . 0.0 114.543 175.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.12 76.97 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 117.508 2.41 . . . . 0.0 117.508 168.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -69.63 -55.1 10.98 Favored 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 124.84 1.256 . . . . 0.0 111.491 167.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.17 -39.66 87.22 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 116.461 2.022 . . . . 0.0 116.461 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.17 -34.85 78.41 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 121.268 1.849 . . . . 0.0 115.489 170.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.58 -38.81 78.69 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 168.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.69 -51.98 35.9 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 173.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.85 -64.34 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.207 1.003 . . . . 0.0 112.659 -166.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.61 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -172.757 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.22 124.35 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 129.571 3.148 . . . . 0.0 116.09 -166.341 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 t -152.1 108.55 2.83 Favored Pre-proline 0 CA--C 1.596 2.725 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 169.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.524 37.8 Cg_exo 63.14 -113.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.817 0 CA-C-N 126.886 3.495 . . . . 0.0 111.115 -178.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 CA--C 1.569 1.69 0 O-C-N 124.652 1.22 . . . . 0.0 109.756 166.413 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 CA--C 1.567 1.616 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -79.51 -92.97 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 124.903 1.281 . . . . 0.0 109.197 -169.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 68.7 m -135.56 -100.46 0.22 Allowed 'General case' 0 C--N 1.358 0.936 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 172.096 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.437 9.2 ptp180 -145.95 -68.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 123.556 2.889 . . . . 0.0 113.912 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.0 p -130.09 -31.15 1.92 Allowed 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.34 -36.44 82.22 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 167.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.48 153.77 39.0 Favored 'General case' 0 CA--C 1.573 1.829 0 C-N-CA 124.902 1.281 . . . . 0.0 110.817 170.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.397 67.2 mt 79.72 -53.35 0.4 Allowed 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 125.978 1.711 . . . . 0.0 111.02 -166.382 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -32.83 69.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 167.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -70.14 -56.56 6.56 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.299 1.44 . . . . 0.0 110.345 165.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.36 -41.15 70.09 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 114.897 -2.478 . . . . 0.0 116.846 -174.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.81 -36.44 82.38 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-N 122.746 2.521 . . . . 0.0 115.657 -173.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -65.8 -36.2 82.85 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.671 -1.633 . . . . 0.0 114.667 167.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.97 -54.56 17.67 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -142.51 107.44 4.91 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -168.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.61 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.63 120.95 22.53 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -169.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -110.57 102.76 52.82 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 100.542 -3.873 . . . . 0.0 100.542 174.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 33.9 Cg_exo 63.73 -99.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.71 0 CA-C-N 126.678 3.421 . . . . 0.0 110.514 -174.244 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.493 1.714 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.794 165.533 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 CA--C 1.56 1.339 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.26 -97.68 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 116.775 -1.583 . . . . 0.0 109.776 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 48.8 m -133.85 -101.4 0.25 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 102.92 -2.993 . . . . 0.0 102.92 172.544 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.325 10.9 ptm180 -151.11 87.13 1.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 122.518 2.417 . . . . 0.0 109.963 -169.116 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p 32.51 52.3 0.27 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -174.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.98 -28.91 0.78 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.783 -2.008 . . . . 0.0 112.959 170.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.0 -60.49 2.32 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 116.587 -1.673 . . . . 0.0 111.566 -173.005 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -43.02 -50.11 6.0 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.458 1.935 . . . . 0.0 115.417 174.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.66 68.55 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 118.294 2.702 . . . . 0.0 118.294 169.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -53.26 18.77 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 124.874 1.269 . . . . 0.0 112.068 168.187 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.68 -46.38 82.62 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 115.744 -2.074 . . . . 0.0 115.299 177.519 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.07 -6.61 23.66 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 173.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.65 -41.91 59.47 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 116.686 -1.626 . . . . 0.0 112.079 165.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.56 -50.76 34.08 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.228 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -128.1 107.15 9.57 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.209 1.003 . . . . 0.0 108.38 -169.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.213 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 126.65 9.87 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 165.059 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 t -132.71 96.54 18.31 Favored Pre-proline 0 CA--C 1.591 2.521 0 N-CA-C 100.709 -3.811 . . . . 0.0 100.709 166.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.512 48.4 Cg_exo 65.59 -95.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.733 0 CA-C-N 126.509 3.36 . . . . 0.0 111.582 -172.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 168.476 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m . . . . . 0 CA--C 1.585 2.294 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -121.99 -127.91 0.27 Allowed 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -167.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 m -110.84 -73.85 0.67 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 115.866 -2.016 . . . . 0.0 107.018 169.076 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.475 20.3 ptt-85 -149.85 -71.29 0.19 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 123.179 2.718 . . . . 0.0 112.948 178.172 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.2 t -136.35 -31.1 0.9 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.37 -34.58 61.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 169.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -77.42 -60.55 2.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.905 -169.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.91 -42.78 27.98 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.53 1.968 . . . . 0.0 115.328 177.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.29 64.21 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 168.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.59 -55.94 14.94 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-N 120.277 1.399 . . . . 0.0 112.068 168.51 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.07 -43.42 95.51 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 115.782 -2.056 . . . . 0.0 115.586 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.71 -32.65 65.9 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 121.604 2.002 . . . . 0.0 115.357 172.342 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -68.1 -38.58 82.48 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 116.797 -1.573 . . . . 0.0 113.932 168.025 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.87 -53.72 19.69 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 169.329 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -141.62 106.99 5.01 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 -168.543 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -177.514 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -72.25 127.02 31.27 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.57 0.623 . . . . 0.0 111.087 -171.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -127.72 105.38 20.9 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 167.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 32.3 Cg_exo 64.44 -114.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.881 0 CA-C-N 126.816 3.47 . . . . 0.0 110.79 -174.539 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 124.648 1.217 . . . . 0.0 109.88 166.184 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 CA--C 1.569 1.674 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.25 23.9 m-85 -75.14 -98.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.343 -166.116 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 m -136.77 -97.82 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 102.176 -3.268 . . . . 0.0 102.176 173.246 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.346 22.2 ptt-85 -149.92 82.56 1.39 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 122.177 2.262 . . . . 0.0 109.968 -170.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.289 7.9 t 61.84 -41.73 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -177.217 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.44 -29.39 35.18 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 174.238 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.23 -60.67 2.28 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 116.379 -1.772 . . . . 0.0 111.971 -174.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.08 -45.08 32.21 Favored 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 121.64 2.018 . . . . 0.0 115.873 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.23 69.12 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 167.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 3.5 ttmp? -68.85 -57.9 4.91 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 125.247 1.419 . . . . 0.0 111.651 167.701 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.98 -37.77 88.64 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 115.101 -2.38 . . . . 0.0 116.475 179.164 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.32 -37.88 84.87 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 122.622 2.465 . . . . 0.0 116.796 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.48 -38.06 88.67 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.683 169.138 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.02 -53.46 31.09 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 169.512 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.1 107.7 5.08 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 -168.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -177.64 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 35.17 103.69 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 129.191 2.996 . . . . 0.0 113.122 -164.344 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.07 100.65 14.15 Favored Pre-proline 0 CA--C 1.592 2.573 0 N-CA-C 100.801 -3.777 . . . . 0.0 100.801 -172.536 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 31.7 Cg_exo 62.75 -102.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.736 0 CA-C-N 126.704 3.43 . . . . 0.0 110.41 -174.001 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 CA--C 1.57 1.719 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.807 165.934 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.563 1.464 0 N-CA-C 101.462 -3.532 . . . . 0.0 101.462 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.15 -95.4 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.973 0 CA-C-O 116.832 -1.556 . . . . 0.0 110.2 -166.509 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 49.9 m -136.71 -95.7 0.22 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 170.829 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.441 26.2 ptt180 -139.56 -65.58 0.47 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 122.18 2.264 . . . . 0.0 113.776 -169.259 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -139.06 -29.72 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 175.802 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.56 -35.77 74.9 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 170.049 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -74.18 -57.44 3.95 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 116.685 -1.626 . . . . 0.0 113.86 -169.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.83 -39.22 58.45 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.109 1.777 . . . . 0.0 115.356 176.208 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.46 59.82 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 168.035 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -64.94 -57.01 9.87 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 120.488 1.494 . . . . 0.0 111.989 168.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.29 -44.38 71.92 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 115.485 -2.198 . . . . 0.0 115.261 -178.342 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 -28.08 60.96 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 121.943 2.156 . . . . 0.0 115.032 177.1 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -70.82 -37.75 73.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 116.527 -1.701 . . . . 0.0 113.381 167.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.9 -53.88 15.97 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -142.62 121.01 12.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -167.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.243 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.04 0.447 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.87 123.19 9.61 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 162.164 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.79 95.42 6.32 Favored Pre-proline 0 CA--C 1.59 2.504 0 N-CA-C 100.504 -3.887 . . . . 0.0 100.504 169.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 36.3 Cg_exo 63.73 -122.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.763 0 CA-C-N 126.415 3.327 . . . . 0.0 111.207 -172.74 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 165.872 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 CA--C 1.588 2.417 1 N-CA-C 98.379 -4.674 . . . . 0.0 98.379 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.254 83.0 m-85 -79.98 -122.07 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 117.449 -1.263 . . . . 0.0 108.367 -165.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.312 43.1 m -111.48 -107.23 0.36 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 167.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.251 6.3 mmm180 -135.03 -60.98 0.76 Allowed 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.977 -1.487 . . . . 0.0 114.809 -164.122 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -139.04 -28.68 0.79 Allowed 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 171.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -40.95 88.21 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.222 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.79 -49.41 30.72 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 116.361 -1.781 . . . . 0.0 115.225 -169.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.38 -38.99 78.43 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.078 1.763 . . . . 0.0 115.064 176.849 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.87 58.66 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 168.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 121.059 1.754 . . . . 0.0 113.715 169.254 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.46 -44.68 61.99 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 115.637 -2.125 . . . . 0.0 114.742 -175.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.61 -17.48 62.89 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.654 2.024 . . . . 0.0 115.969 171.701 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -72.93 -45.86 55.77 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 116.851 -1.547 . . . . 0.0 112.696 167.248 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.15 -55.84 5.93 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 173.295 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -140.05 117.3 11.28 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -167.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.603 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.56 119.48 20.45 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -169.799 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.95 103.05 54.24 Favored Pre-proline 0 CA--C 1.592 2.57 0 N-CA-C 100.583 -3.858 . . . . 0.0 100.583 173.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.4 Cg_exo 64.16 -103.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.821 0 CA-C-N 126.466 3.345 . . . . 0.0 110.301 -173.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 CA--C 1.569 1.689 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.684 165.956 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.563 1.468 0 N-CA-C 104.092 -2.558 . . . . 0.0 104.092 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.77 -95.91 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.763 -167.507 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 50.3 m -130.14 -90.15 0.47 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 169.807 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.459 8.9 ptp180 -136.72 -69.28 0.47 Allowed 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 121.89 2.132 . . . . 0.0 112.281 -171.187 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 t -138.12 -32.91 0.71 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 172.128 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.83 -28.96 38.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 173.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -79.26 -64.53 1.16 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 116.349 -1.786 . . . . 0.0 112.446 -168.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -50.03 -42.38 49.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 121.684 2.038 . . . . 0.0 115.536 177.103 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.9 71.55 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 167.754 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.32 -57.33 5.45 Favored 'General case' 0 CA--C 1.583 2.221 0 C-N-CA 125.194 1.398 . . . . 0.0 111.222 167.305 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.29 -35.26 80.47 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 114.688 -2.577 . . . . 0.0 116.468 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.82 -38.61 91.73 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 123.18 2.718 . . . . 0.0 116.621 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -65.13 -38.11 89.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 116.803 -1.57 . . . . 0.0 114.776 169.296 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.16 -53.39 30.99 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 169.438 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.09 107.54 5.04 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 -168.643 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -177.734 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -155.2 162.42 40.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 126.186 2.179 . . . . 0.0 107.667 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.74 125.54 9.06 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 164.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.09 106.88 3.64 Favored Pre-proline 0 CA--C 1.592 2.562 0 N-CA-C 102.126 -3.287 . . . . 0.0 102.126 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 35.2 Cg_exo 60.84 -122.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.936 0 CA-C-N 126.997 3.535 . . . . 0.0 111.796 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -104.74 64.28 0.73 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.724 1.265 . . . . 0.0 109.74 166.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -102.42 102.67 13.01 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 101.314 -3.587 . . . . 0.0 101.314 166.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -83.87 -124.52 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.794 1.637 . . . . 0.0 109.156 -167.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -111.6 -95.22 0.43 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.444 0.0 OUTLIER -141.6 -67.29 0.4 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-N 123.747 2.976 . . . . 0.0 114.141 -169.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.1 p -136.98 -28.7 0.94 Allowed 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.75 -37.32 81.41 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.19 -58.11 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.601 -169.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.52 -42.74 64.61 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.607 2.003 . . . . 0.0 114.976 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.24 65.23 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -67.22 -54.71 18.52 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 120.196 1.362 . . . . 0.0 112.265 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.39 -44.62 82.54 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.75 -2.071 . . . . 0.0 115.33 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.15 -29.69 63.06 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.669 2.031 . . . . 0.0 115.314 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.14 -38.09 75.41 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 116.575 -1.678 . . . . 0.0 113.531 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.89 -54.23 16.71 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 120.606 1.548 . . . . 0.0 114.935 169.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.07 106.92 4.89 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 -168.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.9 -43.81 28.96 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.41 89.32 0.08 OUTLIER Glycine 0 C--N 1.353 1.495 0 CA-C-N 119.687 1.13 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 120.876 -1.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.93 147.16 11.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 116.431 -3.918 . . . . 0.0 110.099 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.01 124.77 9.11 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 165.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -148.89 106.57 3.43 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.366 -3.568 . . . . 0.0 101.366 167.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.533 32.3 Cg_exo 62.59 -132.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.844 0 CA-C-N 126.425 3.33 . . . . 0.0 112.374 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -97.53 62.2 1.68 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 166.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.264 15.4 m -103.69 96.42 6.7 Favored 'General case' 0 CA--C 1.583 2.245 1 N-CA-C 99.59 -4.226 . . . . 0.0 99.59 166.031 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -82.77 -99.73 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 CA-C-O 116.93 -1.509 . . . . 0.0 109.573 -167.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 67.6 m -131.3 -109.68 0.25 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 40.2 ptt85 -163.82 107.54 0.98 Allowed 'General case' 0 C--N 1.37 1.494 0 CA-C-N 123.78 2.991 . . . . 0.0 111.079 -171.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p 35.44 46.34 0.27 Allowed 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -153.55 -45.6 0.09 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 127.225 2.21 . . . . 0.0 108.65 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.275 4.7 tp10 -67.59 -47.68 69.03 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 127.931 2.492 . . . . 0.0 115.821 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.56 -50.17 70.76 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.94 1.7 . . . . 0.0 114.35 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 169.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -67.12 -52.53 40.65 Favored 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 124.972 1.309 . . . . 0.0 111.859 168.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.72 -49.12 69.62 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 116.02 -1.943 . . . . 0.0 115.869 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.67 -29.7 67.21 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 121.115 1.78 . . . . 0.0 115.37 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -68.99 -37.46 78.75 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 116.57 -1.681 . . . . 0.0 113.563 167.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.27 -53.59 18.98 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -143.26 121.0 11.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -168.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.13 93.94 3.16 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 177.95 49.18 Favored Glycine 0 N--CA 1.481 1.654 0 CA-C-O 123.658 1.699 . . . . 0.0 113.658 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 O-C-N 120.677 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.289 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -133.27 97.97 4.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 125.24 1.587 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.34 120.77 22.83 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -169.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -111.93 109.67 54.82 Favored Pre-proline 0 CA--C 1.594 2.646 0 N-CA-C 101.005 -3.702 . . . . 0.0 101.005 170.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 62.0 Cg_endo 52.09 -102.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.772 0 C-N-CA 124.431 3.421 . . . . 0.0 113.202 -170.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -121.17 66.62 0.87 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.116 167.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -98.34 94.5 6.78 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 167.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.84 -99.28 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 116.951 -1.499 . . . . 0.0 109.809 -167.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.0 m -133.54 -98.37 0.27 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 101.892 -3.373 . . . . 0.0 101.892 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.338 10.9 ptm180 -150.69 83.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 122.174 2.261 . . . . 0.0 109.89 -169.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.277 78.6 p 61.31 -38.6 0.11 Allowed 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.21 -31.49 67.39 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.68 -61.44 1.92 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.714 -1.612 . . . . 0.0 111.972 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.07 -50.9 8.28 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 121.427 1.921 . . . . 0.0 115.136 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -32.15 73.65 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.01 -54.74 18.75 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.144 1.377 . . . . 0.0 112.465 168.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.66 -46.43 89.77 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-O 115.771 -2.061 . . . . 0.0 115.278 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.49 -18.73 65.17 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 121.558 1.981 . . . . 0.0 116.257 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -72.32 -45.31 60.51 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.915 -1.517 . . . . 0.0 113.058 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.12 -54.41 11.16 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -140.71 119.38 12.42 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -167.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.32 -43.97 2.16 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.61 89.38 0.07 OUTLIER Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.876 1.216 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 120.868 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -150.27 60.41 0.97 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 125.575 1.797 . . . . 0.0 111.191 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.34 113.09 8.02 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 118.8 -2.438 . . . . 0.0 109.761 -166.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.2 t -106.02 109.63 63.33 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 55.6 Cg_endo 54.53 -100.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.839 0 CA-C-N 126.518 3.363 . . . . 0.0 112.965 -169.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -125.17 61.71 1.19 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.986 0.914 . . . . 0.0 110.847 167.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.6 p -93.09 123.72 36.55 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 169.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.67 -126.95 0.25 Allowed 'General case' 0 CA--C 1.59 2.482 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.7 m -120.03 142.14 49.1 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -64.59 -62.16 1.76 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -164.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -124.36 68.11 1.07 Allowed 'General case' 0 N--CA 1.503 2.216 0 CA-C-N 121.58 1.991 . . . . 0.0 115.027 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.04 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 127.69 2.396 . . . . 0.0 109.906 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.265 13.2 tp10 -70.51 -52.41 22.08 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 127.431 2.292 . . . . 0.0 115.698 -169.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.63 -41.92 92.08 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 121.294 1.861 . . . . 0.0 114.363 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -23.15 67.29 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 166.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.272 86.1 tttt -68.48 -57.75 5.35 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 125.355 1.462 . . . . 0.0 111.307 168.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.66 -43.34 84.84 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 115.731 -2.08 . . . . 0.0 116.29 175.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.12 -34.48 22.24 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.82 -41.28 87.73 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 116.696 -1.621 . . . . 0.0 114.267 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.46 -51.28 24.64 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 120.437 1.471 . . . . 0.0 113.981 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -141.84 119.16 11.49 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.43 94.16 3.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.71 89.23 0.07 OUTLIER Glycine 0 N--CA 1.475 1.237 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.553 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.937 -1.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -132.35 96.57 3.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 125.239 1.587 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.48 126.55 31.23 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -169.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -123.83 103.38 34.1 Favored Pre-proline 0 CA--C 1.593 2.596 0 N-CA-C 100.55 -3.871 . . . . 0.0 100.55 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 32.3 Cg_exo 64.18 -105.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.794 0 CA-C-N 126.53 3.368 . . . . 0.0 110.472 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -122.54 63.66 0.96 Allowed 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.6 1.187 . . . . 0.0 109.754 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -98.29 91.46 5.24 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 13.6 m-85 -74.42 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 116.726 -1.607 . . . . 0.0 110.88 -166.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.273 15.1 t -138.68 -101.13 0.17 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 102.713 -3.069 . . . . 0.0 102.713 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.0 ptt85 -150.89 85.65 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.282 2.31 . . . . 0.0 109.702 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t 31.62 51.58 0.17 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -135.97 -30.54 0.96 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.798 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -79.84 -57.45 3.65 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 116.521 -1.704 . . . . 0.0 111.756 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -41.83 -49.12 4.44 Favored 'General case' 0 N--CA 1.506 2.338 0 CA-C-N 121.709 2.049 . . . . 0.0 115.36 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.39 -29.09 66.77 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 118.132 2.642 . . . . 0.0 118.132 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.69 -55.26 13.91 Favored 'General case' 0 CA--C 1.582 2.188 0 C-N-CA 124.879 1.272 . . . . 0.0 112.019 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.77 -47.8 71.05 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 115.684 -2.103 . . . . 0.0 114.941 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.71 -30.48 67.04 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 121.825 2.102 . . . . 0.0 115.307 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.35 -36.62 77.05 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.544 166.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.6 -52.73 23.41 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -132.91 -52.33 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -167.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.46 102.34 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.69 1.996 . . . . 0.0 114.063 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.26 89.57 0.08 OUTLIER Glycine 0 N--CA 1.473 1.162 0 O-C-N 124.529 1.143 . . . . 0.0 110.531 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 120.907 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.91 167.16 24.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 125.88 1.988 . . . . 0.0 109.404 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.49 124.98 8.9 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 104.899 -2.259 . . . . 0.0 104.899 162.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.74 110.15 4.82 Favored Pre-proline 0 CA--C 1.591 2.524 0 CA-C-O 113.427 -3.178 . . . . 0.0 104.106 167.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.41 22.3 Cg_exo 45.59 52.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 0 CA-C-N 127.827 3.831 . . . . 0.0 117.692 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.29 62.8 p 52.94 49.03 21.1 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 126.094 1.758 . . . . 0.0 115.719 -165.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -93.51 112.17 24.01 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 170.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -98.0 -112.29 0.16 Allowed 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 -171.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 137.56 23.24 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.756 2.023 . . . . 0.0 106.052 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -34.14 93.44 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 -167.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p 41.3 56.94 3.03 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -141.51 -37.39 0.42 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.536 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.21 -53.29 17.69 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.159 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.13 -45.21 68.24 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 121.784 2.084 . . . . 0.0 114.624 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.73 64.37 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -54.76 15.76 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-N 120.179 1.354 . . . . 0.0 112.21 169.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.32 -45.47 76.35 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 115.543 -2.17 . . . . 0.0 115.302 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.94 -26.63 65.17 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 121.987 2.176 . . . . 0.0 116.218 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -38.06 71.91 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.607 1.548 . . . . 0.0 114.965 166.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.56 -54.86 12.05 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -141.76 106.38 4.87 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 -168.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -43.98 26.0 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.33 -177.25 48.66 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 123.704 1.725 . . . . 0.0 113.417 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.718 0 O-C-N 120.531 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.69 164.01 34.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.018 2.073 . . . . 0.0 109.151 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.75 126.59 11.11 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 163.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -135.93 90.07 19.65 Favored Pre-proline 0 CA--C 1.593 2.62 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 166.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.428 57.1 Cg_endo 44.61 63.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 C-N-CA 124.893 3.728 . . . . 0.0 116.588 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.292 59.3 p 59.27 16.37 4.93 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -166.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -86.41 135.05 33.64 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 113.692 -1.595 . . . . 0.0 107.394 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -124.27 -127.96 0.25 Allowed 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -139.03 124.28 19.12 Favored 'General case' 0 N--CA 1.473 0.708 1 N-CA-C 99.54 -4.244 . . . . 0.0 99.54 166.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.469 20.1 ptt-85 -22.14 -50.15 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.108 1 N-CA-C 124.891 5.145 . . . . 0.0 124.891 -160.894 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -131.16 -42.59 1.08 Allowed 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -172.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.96 -31.66 73.01 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.04 -63.7 1.09 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.801 -169.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.26 6.9 tt -52.0 -43.26 63.56 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 121.272 1.851 . . . . 0.0 114.883 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.3 69.35 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.842 2.534 . . . . 0.0 117.842 167.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.98 -54.09 17.13 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 124.751 1.22 . . . . 0.0 111.931 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.13 -40.63 78.16 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 114.742 -2.552 . . . . 0.0 116.006 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.22 -38.39 87.83 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-N 123.205 2.73 . . . . 0.0 115.813 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.26 42.7 ptt85 -62.78 -40.42 97.26 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 167.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.81 -53.58 31.37 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.31 106.86 4.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 -44.35 24.75 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 87.39 1.33 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 119.79 1.177 . . . . 0.0 111.091 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 120.847 -1.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -145.21 167.3 23.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 125.973 2.046 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.31 125.66 9.41 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 162.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 t -137.59 106.91 8.39 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 166.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 38.5 Cg_exo 61.18 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.874 0 CA-C-N 127.566 3.738 . . . . 0.0 111.266 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -119.98 62.14 0.84 Allowed 'General case' 0 CA--C 1.569 1.673 0 O-C-N 124.568 1.167 . . . . 0.0 110.416 166.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -96.58 114.13 25.75 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 105.064 -2.199 . . . . 0.0 105.064 168.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -95.48 -113.82 0.12 Allowed 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -150.74 116.57 5.53 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 23.74 67.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 120.482 3.512 . . . . 0.0 120.482 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 7.9 t 64.18 -40.75 0.24 Allowed 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -48.32 -24.25 1.15 Allowed 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 119.944 3.312 . . . . 0.0 119.944 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -87.1 -64.79 1.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.084 -2.389 . . . . 0.0 111.314 -168.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.7 -32.19 65.23 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 123.229 2.74 . . . . 0.0 116.053 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.84 68.21 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 166.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 86.3 tttt -72.05 -60.07 2.42 Favored 'General case' 0 CA--C 1.583 2.213 0 C-N-CA 125.605 1.562 . . . . 0.0 110.647 167.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -53.04 -40.94 64.31 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.99 -34.97 79.21 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 121.193 1.815 . . . . 0.0 115.718 171.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -60.23 -43.25 96.2 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.25 -54.13 10.48 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 169.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -141.27 120.59 13.07 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -167.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.24 -44.48 2.15 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.05 87.16 1.33 Allowed Glycine 0 C--N 1.357 1.724 0 CA-C-N 119.936 1.243 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 120.898 -1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -82.78 -161.67 0.51 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 125.989 2.056 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.28 133.62 15.37 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.29 1.859 . . . . 0.0 106.653 168.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -124.06 105.29 31.89 Favored Pre-proline 0 CA--C 1.591 2.55 0 N-CA-C 102.059 -3.311 . . . . 0.0 102.059 167.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.5 Cg_exo 64.01 -103.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.886 0 CA-C-N 126.92 3.507 . . . . 0.0 110.218 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -124.2 63.19 1.09 Allowed 'General case' 0 CA--C 1.568 1.669 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.79 166.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -92.35 112.74 24.8 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 169.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.271 13.5 m-85 -100.45 -104.7 0.24 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 -175.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -142.27 124.67 15.65 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 121.575 1.988 . . . . 0.0 106.585 168.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -21.01 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -168.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 14.5 m 66.42 -36.32 0.25 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -46.49 -31.66 2.86 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 119.445 3.128 . . . . 0.0 119.445 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -87.59 -47.88 8.35 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 115.411 -2.233 . . . . 0.0 113.748 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.28 -34.65 78.84 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 122.32 2.327 . . . . 0.0 115.138 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.78 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 116.615 2.079 . . . . 0.0 116.615 167.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -65.26 -43.13 92.29 Favored 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 125.897 1.679 . . . . 0.0 113.376 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.91 -41.57 59.46 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 115.56 -2.162 . . . . 0.0 115.056 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.61 -36.61 81.23 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 121.891 2.132 . . . . 0.0 116.351 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.03 -36.12 81.41 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 116.607 -1.663 . . . . 0.0 114.419 167.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.43 -53.64 27.34 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -142.87 107.55 4.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 104.211 -2.515 . . . . 0.0 104.211 -168.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.74 29.94 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -179.94 47.74 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 123.724 1.736 . . . . 0.0 113.68 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.64 0 O-C-N 120.695 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -148.28 163.54 36.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 125.858 1.974 . . . . 0.0 110.092 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.87 127.72 9.57 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 164.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.05 105.67 5.69 Favored Pre-proline 0 CA--C 1.592 2.572 0 N-CA-C 102.815 -3.031 . . . . 0.0 102.815 166.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.523 34.2 Cg_exo 61.7 -110.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.932 0 CA-C-N 127.386 3.674 . . . . 0.0 111.312 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -115.27 58.07 0.72 Allowed 'General case' 0 CA--C 1.571 1.754 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 166.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -98.31 120.54 38.9 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 168.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -102.1 -124.74 0.19 Allowed 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -168.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 75.3 m -130.33 -110.83 0.26 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.341 14.7 ptp180 -139.66 78.49 1.67 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 122.788 2.54 . . . . 0.0 109.837 -169.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m 19.38 50.49 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.109 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -170.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -112.78 -35.96 5.31 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.166 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.251 12.1 pt-20 -81.51 -64.32 1.21 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 126.163 1.785 . . . . 0.0 113.018 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.44 -45.66 56.02 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.57 68.97 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 168.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.92 -51.56 25.29 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.747 168.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.92 -45.19 93.36 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 115.455 -2.212 . . . . 0.0 116.497 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.12 -37.51 85.89 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 122.194 2.27 . . . . 0.0 116.186 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -65.55 -36.77 84.78 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 116.695 -1.622 . . . . 0.0 114.623 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.68 -54.55 15.6 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 120.415 1.462 . . . . 0.0 114.865 169.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -143.65 107.94 4.78 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -168.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.11 -43.4 21.76 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.18 89.26 1.39 Allowed Glycine 0 C--N 1.357 1.743 0 CA-C-N 119.753 1.161 . . . . 0.0 110.744 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 120.964 -1.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -149.08 161.63 41.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 126.134 2.146 . . . . 0.0 108.882 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.68 125.78 9.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 164.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t -137.97 105.87 8.1 Favored Pre-proline 0 CA--C 1.59 2.519 0 N-CA-C 102.524 -3.139 . . . . 0.0 102.524 166.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 31.4 Cg_exo 63.15 -109.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.928 0 CA-C-N 126.989 3.532 . . . . 0.0 110.854 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p -116.63 57.4 0.78 Allowed 'General case' 0 CA--C 1.57 1.733 0 O-C-N 124.575 1.172 . . . . 0.0 110.709 166.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 m -93.6 137.35 32.96 Favored 'General case' 0 CA--C 1.583 2.245 0 CA-C-N 110.611 -2.995 . . . . 0.0 104.754 167.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -122.22 -119.59 0.29 Allowed 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.043 -168.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -115.54 -78.52 0.58 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 115.919 -1.991 . . . . 0.0 107.0 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.467 20.7 ptt-85 -151.0 -71.73 0.17 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.045 2.657 . . . . 0.0 112.418 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -136.95 -30.7 0.86 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.8 -26.61 47.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 170.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -80.22 -64.12 1.26 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 115.813 -2.042 . . . . 0.0 112.008 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -37.78 71.94 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.458 2.39 . . . . 0.0 115.659 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.48 69.87 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 166.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.8 -57.3 5.26 Favored 'General case' 0 CA--C 1.582 2.21 0 C-N-CA 125.037 1.335 . . . . 0.0 111.01 167.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.53 -36.76 84.86 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 115.258 -2.306 . . . . 0.0 116.718 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.19 -36.38 75.25 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.366 2.348 . . . . 0.0 117.182 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -64.47 -39.35 93.65 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.909 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.22 -53.45 19.86 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -143.43 119.67 10.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -167.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.65 -43.93 2.25 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.96 88.45 1.42 Allowed Glycine 0 C--N 1.357 1.702 0 CA-C-N 119.9 1.227 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 120.935 -1.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.83 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.509 2.516 1 O-C-N 116.145 -4.097 . . . . 0.0 114.468 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 p 25.92 118.09 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -167.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -140.81 106.54 6.34 Favored Pre-proline 0 CA--C 1.595 2.707 0 N-CA-C 100.947 -3.723 . . . . 0.0 100.947 166.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 31.5 Cg_exo 64.5 -119.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.897 0 CA-C-N 126.791 3.461 . . . . 0.0 111.342 -176.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -111.68 63.96 0.62 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.625 1.203 . . . . 0.0 110.432 167.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -102.28 101.06 11.3 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 167.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -82.72 -109.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 116.941 -1.504 . . . . 0.0 109.38 -167.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 48.7 m -131.75 -101.95 0.28 Allowed 'General case' 0 C--N 1.359 0.994 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.327 36.0 ptt180 -152.28 88.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.973 2.624 . . . . 0.0 110.128 -168.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.13 50.69 0.25 Allowed 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 119.208 3.04 . . . . 0.0 119.208 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -138.04 -42.57 0.52 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.583 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.3 -39.02 93.07 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 115.735 -2.079 . . . . 0.0 116.135 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.81 -48.74 75.62 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 121.849 2.113 . . . . 0.0 113.842 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.01 -32.13 72.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -66.65 -52.68 42.26 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 124.729 1.211 . . . . 0.0 111.841 167.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.57 -41.3 76.02 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 115.207 -2.33 . . . . 0.0 116.103 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.13 -37.26 86.8 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-N 122.269 2.304 . . . . 0.0 116.186 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.96 -36.64 83.89 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.643 -1.646 . . . . 0.0 114.549 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.72 -53.88 23.88 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.6 107.75 4.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.4 -44.19 25.52 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.55 179.31 51.4 Favored Glycine 0 N--CA 1.481 1.7 0 CA-C-O 123.563 1.646 . . . . 0.0 113.974 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.654 0 O-C-N 120.672 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.35 162.08 41.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 126.221 2.2 . . . . 0.0 108.367 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.85 125.8 9.13 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 164.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -139.98 107.24 6.86 Favored Pre-proline 0 CA--C 1.591 2.551 0 N-CA-C 102.287 -3.227 . . . . 0.0 102.287 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 38.0 Cg_exo 61.54 -112.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.937 0 CA-C-N 127.308 3.646 . . . . 0.0 111.202 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -114.65 60.82 0.68 Allowed 'General case' 0 CA--C 1.569 1.698 0 O-C-N 124.612 1.195 . . . . 0.0 110.351 166.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -95.69 123.57 39.32 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 167.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -106.79 -127.82 0.26 Allowed 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 125.029 1.331 . . . . 0.0 108.449 -166.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 t -102.08 -83.73 0.46 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.46 25.5 ptt180 -149.96 -70.25 0.19 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 122.965 2.62 . . . . 0.0 112.735 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -134.91 -27.55 1.26 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.28 -40.45 81.93 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 170.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.63 -47.48 59.84 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 115.672 -2.109 . . . . 0.0 115.56 -169.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.26 -44.17 88.96 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 122.733 2.515 . . . . 0.0 114.047 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.18 70.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 117.803 2.519 . . . . 0.0 117.803 167.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -71.06 -62.33 1.44 Allowed 'General case' 0 CA--C 1.576 1.955 0 C-N-CA 125.18 1.392 . . . . 0.0 110.89 167.727 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.26 -22.54 66.32 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.907 -2.949 . . . . 0.0 117.446 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.32 -39.73 95.36 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 124.406 3.275 . . . . 0.0 116.931 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.14 -40.58 96.46 Favored 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 117.031 -1.461 . . . . 0.0 114.865 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -67.43 -52.58 37.94 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.89 107.45 4.82 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 -168.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.98 40.03 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.6 -89.37 0.08 OUTLIER Glycine 0 C--N 1.354 1.529 0 CA-C-N 119.743 1.156 . . . . 0.0 110.52 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 120.96 -1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -133.43 91.52 2.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 125.189 1.555 . . . . 0.0 108.248 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.7 112.89 12.54 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -171.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -110.04 101.96 49.19 Favored Pre-proline 0 CA--C 1.593 2.616 0 N-CA-C 100.271 -3.974 . . . . 0.0 100.271 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.527 46.3 Cg_exo 66.17 -107.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.744 0 CA-C-N 126.204 3.252 . . . . 0.0 110.143 -171.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -123.71 64.79 1.03 Allowed 'General case' 0 CA--C 1.567 1.632 0 O-C-N 124.471 1.107 . . . . 0.0 109.662 166.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 97.25 7.85 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 169.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 0.3 OUTLIER -90.71 -120.98 0.07 Allowed 'General case' 0 CA--C 1.585 2.316 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -168.038 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -132.89 121.65 23.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 102.938 -2.986 . . . . 0.0 102.938 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -39.65 -51.06 2.3 Favored 'General case' 0 CA--C 1.562 1.409 1 N-CA-C 123.014 4.45 . . . . 0.0 123.014 -163.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -106.75 -48.02 3.61 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 119.043 2.979 . . . . 0.0 119.043 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.51 -15.39 63.64 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -117.03 148.21 41.68 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.121 1.368 . . . . 0.0 108.309 -171.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.379 5.9 tp 61.33 -30.47 0.07 Allowed 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 -167.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.82 88.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.338 1.426 . . . . 0.0 114.723 164.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.37 -45.55 72.48 Favored 'General case' 0 CA--C 1.574 1.886 0 C-N-CA 125.523 1.529 . . . . 0.0 112.597 169.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.22 -43.64 86.08 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.707 -2.092 . . . . 0.0 115.605 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.81 -37.15 83.35 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-N 121.69 2.041 . . . . 0.0 116.276 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.2 -36.72 83.8 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.447 168.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.22 -53.72 27.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.76 4.99 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 -168.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 -43.84 28.98 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 89.29 0.07 OUTLIER Glycine 0 C--N 1.354 1.565 0 CA-C-N 119.723 1.147 . . . . 0.0 110.538 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 120.956 -1.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -138.72 -56.73 0.62 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 33.37 111.54 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.977 2.911 . . . . 0.0 115.141 -165.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 t -117.31 105.45 48.64 Favored Pre-proline 0 CA--C 1.593 2.63 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 32.4 Cg_exo 62.38 -100.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.791 0 CA-C-N 126.981 3.529 . . . . 0.0 110.526 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -126.03 60.75 1.28 Allowed 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.55 166.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -85.63 129.65 34.77 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.703 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -118.03 -123.86 0.29 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 -168.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.8 m -152.71 114.62 4.36 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 14.96 64.3 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 120.4 3.481 . . . . 0.0 120.4 169.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t 30.29 43.96 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 121.704 3.965 . . . . 0.0 121.704 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -105.4 -38.42 6.49 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.237 164.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.06 -57.76 3.75 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.078 -1.915 . . . . 0.0 115.12 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.42 -40.85 75.41 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.499 2.409 . . . . 0.0 115.742 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -27.19 68.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -72.91 -52.19 15.66 Favored 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 117.265 -1.35 . . . . 0.0 111.254 167.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.92 -42.45 99.11 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 115.512 -2.185 . . . . 0.0 116.858 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.05 -42.92 86.43 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 122.113 2.233 . . . . 0.0 115.946 -175.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.256 34.4 ptt180 -65.44 -39.89 92.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 167.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.72 -49.0 76.8 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.312 54.9 m-70 -123.57 -116.04 0.3 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 116.633 -1.651 . . . . 0.0 106.554 -167.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 51.93 98.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 121.967 2.167 . . . . 0.0 114.638 -172.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.17 -179.12 50.86 Favored Glycine 0 N--CA 1.481 1.691 0 CA-C-O 123.551 1.639 . . . . 0.0 114.045 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.645 0 O-C-N 120.623 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.15 162.19 41.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 126.196 2.185 . . . . 0.0 108.383 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.95 125.72 9.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -138.57 107.04 7.71 Favored Pre-proline 0 CA--C 1.59 2.506 0 N-CA-C 102.446 -3.168 . . . . 0.0 102.446 166.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 35.3 Cg_exo 61.83 -110.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.966 0 CA-C-N 127.332 3.654 . . . . 0.0 111.187 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -117.56 61.34 0.75 Allowed 'General case' 0 CA--C 1.568 1.652 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 166.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -94.99 124.06 38.82 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -106.54 -122.63 0.23 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 124.853 1.261 . . . . 0.0 108.354 -167.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -108.97 -81.35 0.57 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 115.679 -2.105 . . . . 0.0 105.938 172.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.465 7.0 ptm180 -150.3 -71.15 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 123.318 2.781 . . . . 0.0 113.098 -177.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.1 p -135.6 -29.54 1.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.77 -34.83 73.51 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.24 -60.32 2.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 115.86 -2.019 . . . . 0.0 113.945 -169.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.79 -41.1 85.9 Favored 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 122.289 2.313 . . . . 0.0 114.978 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.66 -29.01 70.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 167.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -70.45 -56.99 5.29 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 124.929 1.291 . . . . 0.0 111.396 167.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.97 -28.32 65.44 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 114.567 -2.635 . . . . 0.0 116.398 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.1 -38.81 87.63 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 123.452 2.842 . . . . 0.0 116.971 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -39.57 94.16 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.945 -1.503 . . . . 0.0 114.865 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -66.89 -53.2 34.54 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 169.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -141.92 107.33 5.03 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 104.173 -2.528 . . . . 0.0 104.173 -168.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 -43.75 28.98 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.7 89.32 0.08 OUTLIER Glycine 0 C--N 1.353 1.477 0 CA-C-N 119.739 1.154 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 120.906 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.07 162.81 38.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 126.102 2.126 . . . . 0.0 108.574 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.2 124.51 8.85 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 163.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.76 106.21 10.69 Favored Pre-proline 0 CA--C 1.59 2.514 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 166.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 31.3 Cg_exo 62.93 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.923 0 CA-C-N 127.109 3.575 . . . . 0.0 110.743 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -119.45 60.79 0.83 Allowed 'General case' 0 CA--C 1.568 1.652 0 O-C-N 124.693 1.246 . . . . 0.0 110.189 166.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -89.58 135.85 33.37 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 167.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -126.45 -130.85 0.24 Allowed 'General case' 0 CA--C 1.583 2.222 0 C-N-CA 124.854 1.262 . . . . 0.0 108.101 -166.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m -102.35 -102.28 0.28 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 102.134 -3.284 . . . . 0.0 102.134 168.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.407 10.8 ptm180 -153.34 -58.93 0.13 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 125.385 3.72 . . . . 0.0 117.147 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -124.75 -41.64 2.11 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.74 -37.39 84.56 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.259 16.7 tp10 -71.18 -51.45 24.76 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -167.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.5 -46.82 88.72 Favored 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 122.058 2.208 . . . . 0.0 114.351 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -22.13 66.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 50.6 tttp -67.04 -54.29 23.01 Favored 'General case' 0 CA--C 1.577 2.018 0 C-N-CA 125.239 1.415 . . . . 0.0 112.087 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.38 -46.5 83.06 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 115.786 -2.054 . . . . 0.0 116.03 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.52 -36.04 76.05 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.731 2.059 . . . . 0.0 114.788 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.95 -37.4 87.52 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.866 -1.54 . . . . 0.0 114.48 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.04 -51.69 44.03 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -141.08 107.54 5.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 -168.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.93 22.43 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.97 87.19 1.32 Allowed Glycine 0 C--N 1.356 1.689 0 CA-C-N 119.788 1.177 . . . . 0.0 111.049 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.835 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.237 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 171.4 13.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 125.858 1.974 . . . . 0.0 109.752 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.22 124.78 9.67 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 161.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.5 105.21 13.18 Favored Pre-proline 0 CA--C 1.591 2.546 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 167.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.513 31.6 Cg_exo 63.07 -101.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.944 0 CA-C-N 127.191 3.604 . . . . 0.0 110.618 -176.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -127.63 62.96 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.71 165.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -90.87 127.74 36.48 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-N 113.607 -1.633 . . . . 0.0 107.992 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.26 -130.05 0.21 Allowed 'General case' 0 CA--C 1.591 2.541 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -119.24 148.97 42.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.558 2.343 . . . . 0.0 105.022 167.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -59.3 -53.98 52.0 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 119.364 3.098 . . . . 0.0 119.364 -164.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -122.89 -44.09 2.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.24 -13.58 62.11 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 173.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.32 4.1 tp10 -103.55 -73.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.71 -2.09 . . . . 0.0 111.797 -167.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -57.99 -31.55 67.03 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 122.879 2.581 . . . . 0.0 115.348 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.51 69.95 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 165.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -47.56 58.97 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.22 1.408 . . . . 0.0 113.03 168.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.15 -46.39 81.1 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 115.949 -1.977 . . . . 0.0 115.377 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.36 -37.06 81.98 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -66.39 -36.66 83.41 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 116.669 -1.634 . . . . 0.0 114.424 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.2 -53.69 27.99 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.82 5.01 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -43.86 28.55 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.13 89.33 0.07 OUTLIER Glycine 0 C--N 1.354 1.57 0 CA-C-N 119.686 1.13 . . . . 0.0 110.586 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.533 0 O-C-N 121.025 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -157.88 -63.3 0.09 Allowed 'General case' 0 N--CA 1.506 2.362 1 O-C-N 116.285 -4.009 . . . . 0.0 113.164 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.35 123.67 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 129.405 3.082 . . . . 0.0 116.079 -166.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -151.25 113.14 3.05 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 102.847 -3.02 . . . . 0.0 102.847 168.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.408 25.0 Cg_exo 48.13 50.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 CA-C-N 127.43 3.689 . . . . 0.0 117.491 173.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.285 69.9 p 51.44 52.21 15.21 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 126.024 1.73 . . . . 0.0 115.611 -165.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m -98.23 104.52 16.56 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 169.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -86.79 -118.58 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 117.389 -1.291 . . . . 0.0 108.159 -167.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -110.15 -93.4 0.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 101.77 -3.418 . . . . 0.0 101.77 169.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.443 14.2 ptp180 -143.36 -65.85 0.38 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 122.809 2.55 . . . . 0.0 113.688 -171.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 t -136.57 -30.29 0.92 Allowed 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.43 -37.69 75.92 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.392 2.368 . . . . 0.0 117.392 171.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -71.96 -49.88 33.61 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 115.64 -2.124 . . . . 0.0 115.151 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.21 -42.9 99.36 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 121.994 2.179 . . . . 0.0 114.486 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.11 77.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 168.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -66.45 -49.31 67.11 Favored 'General case' 0 CA--C 1.582 2.194 0 C-N-CA 124.949 1.299 . . . . 0.0 111.99 166.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.15 -39.18 63.45 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 115.118 -2.373 . . . . 0.0 115.585 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.98 -31.11 70.71 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 122.396 2.362 . . . . 0.0 116.917 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -66.13 -42.44 89.13 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 116.653 -1.641 . . . . 0.0 114.327 169.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.51 -52.08 17.26 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.579 1.536 . . . . 0.0 113.854 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -141.28 119.61 12.22 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.61 94.29 3.07 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.22 89.4 0.08 OUTLIER Glycine 0 N--CA 1.474 1.2 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 120.992 -1.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.94 97.79 4.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.197 1.561 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 126.47 31.08 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -169.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -136.47 110.18 9.62 Favored Pre-proline 0 CA--C 1.594 2.668 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.417 24.7 Cg_exo 49.36 46.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.675 0 CA-C-N 127.067 3.56 . . . . 0.0 117.616 175.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.313 34.6 t 56.53 54.86 7.0 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 125.848 1.659 . . . . 0.0 114.518 -165.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -97.74 91.49 5.41 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 167.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.276 7.2 m-85 -76.3 -96.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.902 -165.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 19.1 t -136.08 -95.93 0.24 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 172.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.512 28.0 ptt180 -136.76 -88.16 0.3 Allowed 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 122.273 2.306 . . . . 0.0 109.243 -169.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -140.28 77.91 1.63 Allowed 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 121.61 2.005 . . . . 0.0 110.011 169.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -158.77 -33.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 127.029 2.131 . . . . 0.0 111.629 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.4 -62.97 1.47 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 115.969 -1.967 . . . . 0.0 111.681 -168.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -46.44 -42.05 14.75 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 122.396 2.362 . . . . 0.0 116.019 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.95 73.67 Favored 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 168.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.61 -58.18 5.14 Favored 'General case' 0 CA--C 1.585 2.305 0 C-N-CA 125.532 1.533 . . . . 0.0 111.532 167.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -37.78 88.79 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 114.704 -2.57 . . . . 0.0 116.232 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.13 -29.97 67.79 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-N 123.073 2.67 . . . . 0.0 117.42 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -66.9 -43.12 84.21 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 116.854 -1.546 . . . . 0.0 114.316 169.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -54.72 12.63 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -139.4 107.29 5.67 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -167.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.31 -45.61 11.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -87.98 1.35 Allowed Glycine 0 C--N 1.357 1.736 0 CA-C-N 119.801 1.182 . . . . 0.0 110.948 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 120.918 -1.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -139.28 91.87 2.54 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.28 116.0 15.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.04 -1.038 . . . . 0.0 108.44 -168.462 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.6 t -107.85 103.47 49.75 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 100.673 -3.825 . . . . 0.0 100.673 173.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.526 48.2 Cg_exo 66.5 -106.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.79 0 CA-C-N 126.26 3.271 . . . . 0.0 110.073 -171.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -125.08 66.53 1.12 Allowed 'General case' 0 CA--C 1.567 1.604 0 O-C-N 124.567 1.167 . . . . 0.0 109.194 166.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.6 p -99.66 105.27 17.08 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 102.049 -3.315 . . . . 0.0 102.049 167.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.86 -126.02 0.12 Allowed 'General case' 0 CA--C 1.586 2.346 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -169.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -118.71 123.67 45.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 166.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.272 43.7 mtm180 -48.67 -61.45 2.02 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -161.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p -122.31 68.23 0.94 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.118 1.781 . . . . 0.0 114.521 -171.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -172.53 -41.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 127.124 2.17 . . . . 0.0 110.875 169.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.269 5.3 tp10 -70.09 -62.09 1.52 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.165 2.186 . . . . 0.0 115.966 -167.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.68 -35.36 79.95 Favored 'General case' 0 N--CA 1.504 2.249 0 CA-C-N 121.587 1.994 . . . . 0.0 114.611 176.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -28.63 70.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 165.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -70.34 -51.29 31.15 Favored 'General case' 0 CA--C 1.581 2.158 0 C-N-CA 124.994 1.318 . . . . 0.0 111.202 165.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.95 -43.05 93.97 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.02 -34.73 70.37 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.06 -38.17 87.65 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 116.762 -1.59 . . . . 0.0 114.526 168.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.68 -54.21 14.95 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 169.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -144.03 118.62 9.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -168.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.48 93.53 3.07 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 -88.33 1.35 Allowed Glycine 0 N--CA 1.479 1.555 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.056 -178.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 O-C-N 121.025 -1.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -137.7 -57.06 0.68 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.21 115.09 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 129.398 3.079 . . . . 0.0 114.926 -164.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.71 105.78 20.85 Favored Pre-proline 0 CA--C 1.594 2.652 0 N-CA-C 100.983 -3.71 . . . . 0.0 100.983 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 31.2 Cg_exo 62.06 -102.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.836 0 CA-C-N 127.153 3.59 . . . . 0.0 110.668 -174.484 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -124.79 62.64 1.14 Allowed 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.23 166.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 p -94.32 116.1 28.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 170.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.04 -115.55 0.25 Allowed 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.342 68.5 m -112.53 -120.91 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 168.089 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.34 57.7 mtp85 -131.55 -113.05 0.24 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 115.363 -2.256 . . . . 0.0 107.307 -164.579 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -84.58 -28.77 26.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 118.129 2.64 . . . . 0.0 118.129 -175.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.95 -39.45 92.15 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 169.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.09 155.38 30.6 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.814 1.245 . . . . 0.0 110.764 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.386 0.6 OUTLIER 75.37 -47.28 0.6 Allowed 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 -169.168 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.66 73.73 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 164.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -69.5 -55.19 10.92 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 125.385 1.474 . . . . 0.0 110.575 165.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.89 -38.38 82.94 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 115.171 -2.347 . . . . 0.0 117.146 -177.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.92 -35.73 82.08 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 122.415 2.371 . . . . 0.0 115.805 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -63.83 -39.49 94.34 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.92 -1.514 . . . . 0.0 114.67 168.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.1 -54.57 14.32 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -141.6 105.84 4.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 -168.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.2 -44.16 26.51 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -176.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.14 87.65 1.33 Allowed Glycine 0 C--N 1.356 1.687 0 CA-C-N 119.836 1.198 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 120.999 -1.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -131.65 171.54 13.34 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 125.829 1.956 . . . . 0.0 109.178 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.54 125.39 9.8 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 162.648 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.1 105.35 9.54 Favored Pre-proline 0 CA--C 1.591 2.539 0 N-CA-C 102.375 -3.194 . . . . 0.0 102.375 166.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 34.1 Cg_exo 62.29 -106.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.91 0 CA-C-N 127.329 3.653 . . . . 0.0 110.808 -176.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -121.29 60.87 0.92 Allowed 'General case' 0 CA--C 1.57 1.735 0 O-C-N 124.626 1.204 . . . . 0.0 110.231 165.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -92.59 126.27 37.6 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.358 169.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -126.48 -131.04 0.24 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -173.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.5 m -113.8 143.76 44.12 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.713 2.405 . . . . 0.0 105.372 168.483 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -52.2 -53.71 40.0 Favored 'General case' 0 CA--C 1.561 1.377 1 N-CA-C 122.178 4.14 . . . . 0.0 122.178 -164.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -122.43 -48.16 2.08 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -168.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.57 -33.66 75.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.266 4.8 tp10 -70.98 -59.94 2.51 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.943 -1.979 . . . . 0.0 115.354 -168.203 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.63 -39.74 92.37 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 122.125 2.239 . . . . 0.0 114.855 177.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.08 -29.32 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 166.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -69.31 -53.51 19.3 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 125.092 1.357 . . . . 0.0 111.587 166.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.0 -40.96 97.41 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.53 -38.98 89.4 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 178.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.263 34.4 ptt180 -62.78 -40.86 98.6 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 167.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.91 -52.53 49.16 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -141.95 107.09 4.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -168.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -44.38 23.79 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -177.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.07 87.39 1.32 Allowed Glycine 0 C--N 1.356 1.678 0 CA-C-N 119.873 1.215 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 120.902 -1.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.03 163.15 39.92 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 126.326 2.266 . . . . 0.0 107.042 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.69 125.56 9.79 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 164.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -149.71 107.25 3.28 Favored Pre-proline 0 CA--C 1.593 2.626 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 167.155 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.535 29.5 Cg_exo 60.32 -125.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.885 0 CA-C-N 127.044 3.552 . . . . 0.0 112.082 178.406 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p -101.05 63.09 0.99 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.726 1.266 . . . . 0.0 110.032 166.415 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -102.7 104.24 14.56 Favored 'General case' 0 CA--C 1.574 1.873 1 N-CA-C 100.112 -4.033 . . . . 0.0 100.112 167.272 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -85.68 -127.16 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.78 1.632 . . . . 0.0 109.087 -166.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -111.28 -95.48 0.43 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 101.6 -3.482 . . . . 0.0 101.6 169.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.451 14.5 ptp180 -141.74 -68.14 0.38 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 123.897 3.044 . . . . 0.0 114.019 -169.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -136.23 -28.21 1.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 177.227 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.45 -39.14 82.65 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 169.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.4 -58.67 3.7 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 116.437 -1.745 . . . . 0.0 114.802 -169.067 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -53.28 -43.12 67.24 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 121.594 1.997 . . . . 0.0 114.942 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.93 64.91 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 169.099 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -66.66 -54.85 18.79 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 120.307 1.412 . . . . 0.0 112.284 168.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.55 -44.67 81.71 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 115.749 -2.072 . . . . 0.0 115.359 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.93 -29.9 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.676 2.035 . . . . 0.0 115.308 174.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.86 -38.12 76.32 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.705 167.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.77 -54.04 18.31 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -142.08 107.11 4.93 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -168.646 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.51 24.74 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.509 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.13 -87.29 1.33 Allowed Glycine 0 C--N 1.357 1.712 0 CA-C-N 119.859 1.209 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 120.906 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.78 165.05 34.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 126.059 2.099 . . . . 0.0 109.139 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.0 125.7 8.98 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 163.343 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -139.34 107.9 7.3 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 166.068 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 38.1 Cg_exo 60.79 -109.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 CA-C-N 127.464 3.702 . . . . 0.0 111.446 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -117.51 63.16 0.74 Allowed 'General case' 0 CA--C 1.569 1.697 0 O-C-N 124.649 1.218 . . . . 0.0 110.121 166.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -98.24 112.33 24.35 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 104.095 -2.558 . . . . 0.0 104.095 168.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -93.44 -117.2 0.09 Allowed 'General case' 0 CA--C 1.572 1.808 0 C-N-CA 125.176 1.391 . . . . 0.0 108.513 -167.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 57.4 m -130.16 -102.07 0.3 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.33 23.2 ptt-85 -149.53 87.18 1.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 123.34 2.791 . . . . 0.0 110.496 -168.28 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m 33.12 50.73 0.25 Allowed 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -177.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.75 -33.01 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.166 171.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -75.82 -59.3 2.81 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.36 -169.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -50.58 -43.01 56.31 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 122.313 2.324 . . . . 0.0 115.518 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -30.86 69.81 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 168.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.39 -54.24 18.53 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.711 1.204 . . . . 0.0 112.29 168.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.22 -40.02 90.03 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 114.945 -2.455 . . . . 0.0 116.113 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.74 -37.8 88.71 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 122.797 2.544 . . . . 0.0 116.468 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.43 -37.51 87.14 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 116.81 -1.567 . . . . 0.0 114.686 168.879 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.39 -53.95 24.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 169.455 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.42 107.51 4.95 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 -168.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.91 -44.03 28.25 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -177.641 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.43 -89.4 0.07 OUTLIER Glycine 0 C--N 1.353 1.524 0 CA-C-N 119.658 1.117 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 O-C-N 120.98 -1.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.03 76.74 1.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 125.548 1.78 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -73.53 125.93 29.09 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.281 -0.887 . . . . 0.0 112.318 -168.396 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 37.4 t -149.88 106.43 3.23 Favored Pre-proline 0 CA--C 1.596 2.743 0 N-CA-C 101.016 -3.698 . . . . 0.0 101.016 167.745 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 33.4 Cg_exo 62.25 -136.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.792 0 CA-C-N 126.606 3.395 . . . . 0.0 112.889 -178.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -91.32 59.45 3.91 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 124.282 0.988 . . . . 0.0 110.871 166.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.2 m -102.45 91.56 4.3 Favored 'General case' 0 CA--C 1.579 2.086 1 N-CA-C 100.12 -4.03 . . . . 0.0 100.12 165.658 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.266 4.0 m-85 -77.8 -100.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.981 -166.756 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.261 8.1 t -141.1 -100.87 0.14 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.2 ptt85 -151.95 87.17 1.33 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 122.234 2.288 . . . . 0.0 109.861 -169.141 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.44 54.69 0.48 Allowed 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -174.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.92 -48.15 0.32 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 126.217 1.807 . . . . 0.0 110.381 173.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -61.2 -43.58 98.66 Favored 'General case' 0 CA--C 1.568 1.652 0 C-N-CA 126.699 2.0 . . . . 0.0 115.425 175.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.82 -50.68 73.07 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.466 1.484 . . . . 0.0 113.388 175.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.04 66.17 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 169.067 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -66.86 -57.07 7.72 Favored 'General case' 0 CA--C 1.576 1.962 0 CA-C-N 120.08 1.309 . . . . 0.0 112.281 169.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.51 -44.01 75.57 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 115.331 -2.271 . . . . 0.0 115.856 178.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.78 -37.89 76.52 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.438 2.381 . . . . 0.0 115.263 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -66.42 -36.08 81.91 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.62 -1.657 . . . . 0.0 114.404 167.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.78 -53.72 24.97 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 169.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.08 107.67 5.08 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 104.289 -2.485 . . . . 0.0 104.289 -168.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.88 -43.8 29.09 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -177.528 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.63 89.38 0.08 OUTLIER Glycine 0 C--N 1.354 1.566 0 CA-C-N 119.696 1.134 . . . . 0.0 110.561 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 120.981 -1.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -168.54 -61.1 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.637 1 O-C-N 115.829 -4.295 . . . . 0.0 111.226 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.64 128.88 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 129.609 3.164 . . . . 0.0 116.639 -167.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -155.31 107.44 2.24 Favored Pre-proline 0 CA--C 1.597 2.776 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 167.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.528 36.1 Cg_exo 64.36 -120.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 CA-C-N 126.962 3.522 . . . . 0.0 111.375 -177.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -114.08 65.94 0.67 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 124.664 1.228 . . . . 0.0 109.815 166.688 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t -102.33 100.56 10.74 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 167.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.57 -109.62 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.059 0 CA-C-O 117.096 -1.431 . . . . 0.0 107.197 -168.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -154.94 133.89 12.25 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.019 2.128 . . . . 0.0 105.549 172.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -33.58 92.63 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 N-CA-C 120.613 3.56 . . . . 0.0 120.613 -167.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t 45.06 58.39 4.09 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 174.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -145.48 -40.15 0.24 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 113.007 -1.906 . . . . 0.0 110.285 168.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.43 -48.46 72.67 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.171 1.788 . . . . 0.0 114.861 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.19 -47.84 77.54 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 121.368 1.895 . . . . 0.0 114.29 175.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -28.05 64.82 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 169.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.19 -56.32 9.15 Favored 'General case' 0 CA--C 1.578 2.023 0 CA-C-N 120.072 1.306 . . . . 0.0 112.113 169.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.4 -46.12 77.66 Favored 'General case' 0 CA--C 1.565 1.537 0 CA-C-O 115.551 -2.166 . . . . 0.0 115.517 177.479 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.2 -29.03 64.66 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 121.98 2.173 . . . . 0.0 115.493 176.215 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -69.83 -38.07 76.41 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.678 -1.63 . . . . 0.0 113.567 167.513 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -53.6 18.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 169.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -142.83 120.97 12.17 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -167.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.47 94.33 3.09 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.151 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.18 -89.44 0.07 OUTLIER Glycine 0 N--CA 1.475 1.268 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.514 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 120.872 -1.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.0 147.18 6.79 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 116.303 -3.998 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.46 125.41 9.86 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 163.864 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -144.02 106.92 4.91 Favored Pre-proline 0 CA--C 1.595 2.676 0 N-CA-C 101.349 -3.574 . . . . 0.0 101.349 166.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.536 34.9 Cg_exo 63.38 -129.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.905 0 CA-C-N 126.562 3.379 . . . . 0.0 111.996 -177.837 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -101.93 64.74 0.96 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 124.527 1.142 . . . . 0.0 109.725 166.715 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.25 19.0 m -103.1 101.46 11.43 Favored 'General case' 0 CA--C 1.579 2.071 1 N-CA-C 99.991 -4.077 . . . . 0.0 99.991 166.519 . . . . . . . . 3 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -80.37 -102.27 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.038 0 CA-C-O 116.744 -1.598 . . . . 0.0 109.48 -168.121 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 45.4 m -132.56 -93.65 0.35 Allowed 'General case' 0 C--N 1.359 1.015 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 173.141 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.522 3.4 ptm85 -135.62 -108.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 114.983 -2.437 . . . . 0.0 108.029 -168.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -126.96 72.39 1.36 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 123.17 2.714 . . . . 0.0 110.406 169.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.62 -38.18 0.2 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.706 2.002 . . . . 0.0 110.835 172.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -73.26 -47.68 41.05 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 115.431 -2.223 . . . . 0.0 114.845 -170.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.67 -41.72 98.15 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 122.553 2.433 . . . . 0.0 114.543 175.494 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.12 76.97 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 117.508 2.41 . . . . 0.0 117.508 168.726 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -69.63 -55.1 10.98 Favored 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 124.84 1.256 . . . . 0.0 111.491 167.579 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.17 -39.66 87.22 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 116.461 2.022 . . . . 0.0 116.461 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.17 -34.85 78.41 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 121.268 1.849 . . . . 0.0 115.489 170.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.58 -38.81 78.69 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 168.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.69 -51.98 35.9 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 173.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.85 -64.34 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.207 1.003 . . . . 0.0 112.659 -166.529 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 43.26 92.53 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -172.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.07 -88.32 1.4 Allowed Glycine 0 N--CA 1.479 1.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.193 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 120.984 -1.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.289 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.05 -49.62 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 125.504 1.752 . . . . 0.0 115.571 . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.22 124.35 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 129.571 3.148 . . . . 0.0 116.09 -166.341 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 t -152.1 108.55 2.83 Favored Pre-proline 0 CA--C 1.596 2.725 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 169.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.524 37.8 Cg_exo 63.14 -113.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.817 0 CA-C-N 126.886 3.495 . . . . 0.0 111.115 -178.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -119.38 65.03 0.79 Allowed 'General case' 0 CA--C 1.569 1.69 0 O-C-N 124.652 1.22 . . . . 0.0 109.756 166.413 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 t -100.43 92.48 5.18 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 167.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -79.51 -92.97 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 124.903 1.281 . . . . 0.0 109.197 -169.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 68.7 m -135.56 -100.46 0.22 Allowed 'General case' 0 C--N 1.358 0.936 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 172.096 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.437 9.2 ptp180 -145.95 -68.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 123.556 2.889 . . . . 0.0 113.912 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.0 p -130.09 -31.15 1.92 Allowed 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.34 -36.44 82.22 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 167.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.48 153.77 39.0 Favored 'General case' 0 CA--C 1.573 1.829 0 C-N-CA 124.902 1.281 . . . . 0.0 110.817 170.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.397 67.2 mt 79.72 -53.35 0.4 Allowed 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 125.978 1.711 . . . . 0.0 111.02 -166.382 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -32.83 69.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 167.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -70.14 -56.56 6.56 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.299 1.44 . . . . 0.0 110.345 165.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.36 -41.15 70.09 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 114.897 -2.478 . . . . 0.0 116.846 -174.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.81 -36.44 82.38 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-N 122.746 2.521 . . . . 0.0 115.657 -173.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -65.8 -36.2 82.85 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.671 -1.633 . . . . 0.0 114.667 167.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.97 -54.56 17.67 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.647 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -142.51 107.44 4.91 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -168.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.4 -44.42 24.92 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.1 87.27 1.33 Allowed Glycine 0 C--N 1.357 1.725 0 CA-C-N 119.781 1.173 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.867 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -139.15 94.81 2.85 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 125.057 1.473 . . . . 0.0 108.68 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.63 120.95 22.53 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -169.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -110.57 102.76 52.82 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 100.542 -3.873 . . . . 0.0 100.542 174.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 33.9 Cg_exo 63.73 -99.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.71 0 CA-C-N 126.678 3.421 . . . . 0.0 110.514 -174.244 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -128.63 64.81 1.43 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.794 165.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -97.91 96.84 8.46 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 168.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.26 -97.68 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 116.775 -1.583 . . . . 0.0 109.776 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 48.8 m -133.85 -101.4 0.25 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 102.92 -2.993 . . . . 0.0 102.92 172.544 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.325 10.9 ptm180 -151.11 87.13 1.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 122.518 2.417 . . . . 0.0 109.963 -169.116 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p 32.51 52.3 0.27 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -174.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.98 -28.91 0.78 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.783 -2.008 . . . . 0.0 112.959 170.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.0 -60.49 2.32 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 116.587 -1.673 . . . . 0.0 111.566 -173.005 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -43.02 -50.11 6.0 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.458 1.935 . . . . 0.0 115.417 174.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.66 68.55 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 118.294 2.702 . . . . 0.0 118.294 169.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -53.26 18.77 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 124.874 1.269 . . . . 0.0 112.068 168.187 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.68 -46.38 82.62 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 115.744 -2.074 . . . . 0.0 115.299 177.519 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.07 -6.61 23.66 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 173.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.65 -41.91 59.47 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 116.686 -1.626 . . . . 0.0 112.079 165.546 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.56 -50.76 34.08 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.228 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -128.1 107.15 9.57 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.209 1.003 . . . . 0.0 108.38 -169.093 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.89 94.11 3.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.32 -89.34 0.08 OUTLIER Glycine 0 N--CA 1.474 1.214 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.536 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 120.861 -1.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -151.68 157.32 41.93 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 126.126 2.141 . . . . 0.0 108.563 . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 126.65 9.87 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 165.059 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 t -132.71 96.54 18.31 Favored Pre-proline 0 CA--C 1.591 2.521 0 N-CA-C 100.709 -3.811 . . . . 0.0 100.709 166.356 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.512 48.4 Cg_exo 65.59 -95.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.733 0 CA-C-N 126.509 3.36 . . . . 0.0 111.582 -172.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -113.39 -7.29 13.48 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 168.476 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -87.26 138.42 31.5 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 108.701 -3.863 . . . . 0.0 105.121 166.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -121.99 -127.91 0.27 Allowed 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -167.248 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 m -110.84 -73.85 0.67 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 115.866 -2.016 . . . . 0.0 107.018 169.076 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.475 20.3 ptt-85 -149.85 -71.29 0.19 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 123.179 2.718 . . . . 0.0 112.948 178.172 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.2 t -136.35 -31.1 0.9 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.37 -34.58 61.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 169.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -77.42 -60.55 2.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.905 -169.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.91 -42.78 27.98 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.53 1.968 . . . . 0.0 115.328 177.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.29 64.21 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 168.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.59 -55.94 14.94 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-N 120.277 1.399 . . . . 0.0 112.068 168.51 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.07 -43.42 95.51 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 115.782 -2.056 . . . . 0.0 115.586 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.71 -32.65 65.9 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 121.604 2.002 . . . . 0.0 115.357 172.342 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -68.1 -38.58 82.48 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 116.797 -1.573 . . . . 0.0 113.932 168.025 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.87 -53.72 19.69 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 169.329 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -141.62 106.99 5.01 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 -168.543 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 -44.39 25.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -177.514 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.07 -87.34 1.32 Allowed Glycine 0 C--N 1.356 1.671 0 CA-C-N 119.808 1.186 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 120.859 -1.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -132.97 102.47 5.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 125.325 1.641 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -72.25 127.02 31.27 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.57 0.623 . . . . 0.0 111.087 -171.737 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -127.72 105.38 20.9 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 167.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 32.3 Cg_exo 64.44 -114.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.881 0 CA-C-N 126.816 3.47 . . . . 0.0 110.79 -174.539 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -114.34 63.37 0.66 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.648 1.217 . . . . 0.0 109.88 166.184 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -96.92 91.18 5.5 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 166.409 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.25 23.9 m-85 -75.14 -98.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.343 -166.116 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 m -136.77 -97.82 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 102.176 -3.268 . . . . 0.0 102.176 173.246 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.346 22.2 ptt-85 -149.92 82.56 1.39 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 122.177 2.262 . . . . 0.0 109.968 -170.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.289 7.9 t 61.84 -41.73 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -177.217 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.44 -29.39 35.18 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 174.238 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.23 -60.67 2.28 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 116.379 -1.772 . . . . 0.0 111.971 -174.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.08 -45.08 32.21 Favored 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 121.64 2.018 . . . . 0.0 115.873 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.23 69.12 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 167.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 3.5 ttmp? -68.85 -57.9 4.91 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 125.247 1.419 . . . . 0.0 111.651 167.701 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.98 -37.77 88.64 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 115.101 -2.38 . . . . 0.0 116.475 179.164 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.32 -37.88 84.87 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 122.622 2.465 . . . . 0.0 116.796 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.48 -38.06 88.67 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.683 169.138 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.02 -53.46 31.09 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 169.512 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.1 107.7 5.08 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 -168.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.36 -44.13 25.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -177.64 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.19 87.33 1.34 Allowed Glycine 0 C--N 1.356 1.693 0 CA-C-N 119.805 1.184 . . . . 0.0 111.091 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 120.935 -1.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -142.56 -54.04 0.41 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 125.666 1.854 . . . . 0.0 113.764 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 35.17 103.69 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 129.191 2.996 . . . . 0.0 113.122 -164.344 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.07 100.65 14.15 Favored Pre-proline 0 CA--C 1.592 2.573 0 N-CA-C 100.801 -3.777 . . . . 0.0 100.801 -172.536 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 31.7 Cg_exo 62.75 -102.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.736 0 CA-C-N 126.704 3.43 . . . . 0.0 110.41 -174.001 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -124.7 63.26 1.12 Allowed 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.807 165.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.0 t -102.88 95.79 6.4 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 101.462 -3.532 . . . . 0.0 101.462 164.804 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.15 -95.4 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.973 0 CA-C-O 116.832 -1.556 . . . . 0.0 110.2 -166.509 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 49.9 m -136.71 -95.7 0.22 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 170.829 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.441 26.2 ptt180 -139.56 -65.58 0.47 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 122.18 2.264 . . . . 0.0 113.776 -169.259 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -139.06 -29.72 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 175.802 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.56 -35.77 74.9 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 170.049 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -74.18 -57.44 3.95 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 116.685 -1.626 . . . . 0.0 113.86 -169.764 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.83 -39.22 58.45 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.109 1.777 . . . . 0.0 115.356 176.208 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.46 59.82 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 168.035 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -64.94 -57.01 9.87 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 120.488 1.494 . . . . 0.0 111.989 168.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.29 -44.38 71.92 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 115.485 -2.198 . . . . 0.0 115.261 -178.342 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 -28.08 60.96 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 121.943 2.156 . . . . 0.0 115.032 177.1 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -70.82 -37.75 73.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 116.527 -1.701 . . . . 0.0 113.381 167.19 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.9 -53.88 15.97 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -142.62 121.01 12.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -167.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.6 94.37 3.08 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.243 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -89.36 0.08 OUTLIER Glycine 0 N--CA 1.475 1.264 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.559 -178.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 120.972 -1.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -149.14 158.94 44.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 125.802 1.939 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.87 123.19 9.61 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 162.164 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.79 95.42 6.32 Favored Pre-proline 0 CA--C 1.59 2.504 0 N-CA-C 100.504 -3.887 . . . . 0.0 100.504 169.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 36.3 Cg_exo 63.73 -122.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.763 0 CA-C-N 126.415 3.327 . . . . 0.0 111.207 -172.74 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -80.58 -18.64 47.67 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 165.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.4 m -98.87 100.53 11.72 Favored 'General case' 0 CA--C 1.588 2.417 2 N-CA-C 98.379 -4.674 . . . . 0.0 98.379 160.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.254 83.0 m-85 -79.98 -122.07 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 117.449 -1.263 . . . . 0.0 108.367 -165.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.312 43.1 m -111.48 -107.23 0.36 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 167.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.251 6.3 mmm180 -135.03 -60.98 0.76 Allowed 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.977 -1.487 . . . . 0.0 114.809 -164.122 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -139.04 -28.68 0.79 Allowed 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 171.703 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -40.95 88.21 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.222 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.79 -49.41 30.72 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 116.361 -1.781 . . . . 0.0 115.225 -169.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.38 -38.99 78.43 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.078 1.763 . . . . 0.0 115.064 176.849 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.87 58.66 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 168.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 121.059 1.754 . . . . 0.0 113.715 169.254 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.46 -44.68 61.99 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 115.637 -2.125 . . . . 0.0 114.742 -175.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.61 -17.48 62.89 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.654 2.024 . . . . 0.0 115.969 171.701 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -72.93 -45.86 55.77 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 116.851 -1.547 . . . . 0.0 112.696 167.248 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.15 -55.84 5.93 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 173.295 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -140.05 117.3 11.28 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -167.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.01 -44.19 2.06 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.1 179.95 45.99 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 123.658 1.699 . . . . 0.0 113.712 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.66 0 O-C-N 120.743 -1.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.33 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.43 94.77 2.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 124.974 1.421 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.56 119.48 20.45 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -169.799 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.95 103.05 54.24 Favored Pre-proline 0 CA--C 1.592 2.57 0 N-CA-C 100.583 -3.858 . . . . 0.0 100.583 173.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.4 Cg_exo 64.16 -103.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.821 0 CA-C-N 126.466 3.345 . . . . 0.0 110.301 -173.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -124.35 64.3 1.08 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.684 165.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -98.1 94.54 6.89 Favored 'General case' 0 CA--C 1.563 1.468 0 N-CA-C 104.092 -2.558 . . . . 0.0 104.092 168.28 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.77 -95.91 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.763 -167.507 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 50.3 m -130.14 -90.15 0.47 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 169.807 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.459 8.9 ptp180 -136.72 -69.28 0.47 Allowed 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 121.89 2.132 . . . . 0.0 112.281 -171.187 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 t -138.12 -32.91 0.71 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 172.128 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.83 -28.96 38.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 173.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -79.26 -64.53 1.16 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 116.349 -1.786 . . . . 0.0 112.446 -168.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -50.03 -42.38 49.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 121.684 2.038 . . . . 0.0 115.536 177.103 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.9 71.55 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 167.754 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.32 -57.33 5.45 Favored 'General case' 0 CA--C 1.583 2.221 0 C-N-CA 125.194 1.398 . . . . 0.0 111.222 167.305 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.29 -35.26 80.47 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 114.688 -2.577 . . . . 0.0 116.468 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.82 -38.61 91.73 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 123.18 2.718 . . . . 0.0 116.621 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -65.13 -38.11 89.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 116.803 -1.57 . . . . 0.0 114.776 169.296 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.16 -53.39 30.99 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 169.438 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.09 107.54 5.04 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 -168.643 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.09 -43.96 27.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -177.734 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.84 -89.31 0.08 OUTLIER Glycine 0 C--N 1.353 1.526 0 CA-C-N 119.727 1.149 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 120.948 -1.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.427 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.74 125.54 9.06 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 164.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.09 106.88 3.64 Favored Pre-proline 0 CA--C 1.592 2.562 0 N-CA-C 102.126 -3.287 . . . . 0.0 102.126 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 35.2 Cg_exo 60.84 -122.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.936 0 CA-C-N 126.997 3.535 . . . . 0.0 111.796 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 124.724 1.265 . . . . 0.0 109.74 166.326 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.57 1.731 0 N-CA-C 101.314 -3.587 . . . . 0.0 101.314 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.427 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.1 m-85 -83.87 -124.52 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.794 1.637 . . . . 0.0 109.156 -167.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -111.6 -95.22 0.43 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.444 0.0 OUTLIER -141.6 -67.29 0.4 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-N 123.747 2.976 . . . . 0.0 114.141 -169.511 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.1 p -136.98 -28.7 0.94 Allowed 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.75 -37.32 81.41 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.19 -58.11 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.601 -169.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.52 -42.74 64.61 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.607 2.003 . . . . 0.0 114.976 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.24 65.23 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -67.22 -54.71 18.52 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 120.196 1.362 . . . . 0.0 112.265 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.39 -44.62 82.54 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.75 -2.071 . . . . 0.0 115.33 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.15 -29.69 63.06 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.669 2.031 . . . . 0.0 115.314 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.14 -38.09 75.41 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 116.575 -1.678 . . . . 0.0 113.531 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.89 -54.23 16.71 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 120.606 1.548 . . . . 0.0 114.935 169.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.07 106.92 4.89 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 -168.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.388 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.161 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.01 124.77 9.11 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 165.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -148.89 106.57 3.43 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.366 -3.568 . . . . 0.0 101.366 167.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.533 32.3 Cg_exo 62.59 -132.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.844 0 CA-C-N 126.425 3.33 . . . . 0.0 112.374 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.492 1.663 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 166.519 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.264 15.4 m . . . . . 0 CA--C 1.583 2.245 1 N-CA-C 99.59 -4.226 . . . . 0.0 99.59 . . . . . . . . . 2 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -82.77 -99.73 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 CA-C-O 116.93 -1.509 . . . . 0.0 109.573 -167.752 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 67.6 m -131.3 -109.68 0.25 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 40.2 ptt85 -163.82 107.54 0.98 Allowed 'General case' 0 C--N 1.37 1.494 0 CA-C-N 123.78 2.991 . . . . 0.0 111.079 -171.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p 35.44 46.34 0.27 Allowed 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -153.55 -45.6 0.09 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 127.225 2.21 . . . . 0.0 108.65 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.275 4.7 tp10 -67.59 -47.68 69.03 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 127.931 2.492 . . . . 0.0 115.821 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.56 -50.17 70.76 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.94 1.7 . . . . 0.0 114.35 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 169.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -67.12 -52.53 40.65 Favored 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 124.972 1.309 . . . . 0.0 111.859 168.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.72 -49.12 69.62 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 116.02 -1.943 . . . . 0.0 115.869 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.67 -29.7 67.21 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 121.115 1.78 . . . . 0.0 115.37 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -68.99 -37.46 78.75 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 116.57 -1.681 . . . . 0.0 113.563 167.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.27 -53.59 18.98 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -143.26 121.0 11.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -168.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 176.714 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.2 p90 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.34 120.77 22.83 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -169.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -111.93 109.67 54.82 Favored Pre-proline 0 CA--C 1.594 2.646 0 N-CA-C 101.005 -3.702 . . . . 0.0 101.005 170.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 62.0 Cg_endo 52.09 -102.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.772 0 C-N-CA 124.431 3.421 . . . . 0.0 113.202 -170.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.116 167.169 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 CA--C 1.563 1.461 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.84 -99.28 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 116.951 -1.499 . . . . 0.0 109.809 -167.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.0 m -133.54 -98.37 0.27 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 101.892 -3.373 . . . . 0.0 101.892 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.338 10.9 ptm180 -150.69 83.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 122.174 2.261 . . . . 0.0 109.89 -169.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.277 78.6 p 61.31 -38.6 0.11 Allowed 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.21 -31.49 67.39 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.68 -61.44 1.92 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.714 -1.612 . . . . 0.0 111.972 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.07 -50.9 8.28 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 121.427 1.921 . . . . 0.0 115.136 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -32.15 73.65 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.01 -54.74 18.75 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.144 1.377 . . . . 0.0 112.465 168.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.66 -46.43 89.77 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-O 115.771 -2.061 . . . . 0.0 115.278 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.49 -18.73 65.17 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 121.558 1.981 . . . . 0.0 116.257 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -72.32 -45.31 60.51 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.915 -1.517 . . . . 0.0 113.058 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.12 -54.41 11.16 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -140.71 119.38 12.42 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -167.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -179.02 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.52 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 119.805 -0.141 . . . . 0.0 111.191 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.34 113.09 8.02 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 118.8 -2.438 . . . . 0.0 109.761 -166.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.2 t -106.02 109.63 63.33 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 55.6 Cg_endo 54.53 -100.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.839 0 CA-C-N 126.518 3.363 . . . . 0.0 112.965 -169.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.495 1.795 0 C-N-CA 123.986 0.914 . . . . 0.0 110.847 167.023 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 CA--C 1.565 1.537 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.52 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 0.3 OUTLIER -124.67 -126.95 0.25 Allowed 'General case' 0 CA--C 1.59 2.482 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 -176.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.7 m -120.03 142.14 49.1 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -64.59 -62.16 1.76 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -164.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -124.36 68.11 1.07 Allowed 'General case' 0 N--CA 1.503 2.216 0 CA-C-N 121.58 1.991 . . . . 0.0 115.027 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.04 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 127.69 2.396 . . . . 0.0 109.906 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.265 13.2 tp10 -70.51 -52.41 22.08 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 127.431 2.292 . . . . 0.0 115.698 -169.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.63 -41.92 92.08 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 121.294 1.861 . . . . 0.0 114.363 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -23.15 67.29 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 166.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.272 86.1 tttt -68.48 -57.75 5.35 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 125.355 1.462 . . . . 0.0 111.307 168.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.66 -43.34 84.84 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 115.731 -2.08 . . . . 0.0 116.29 175.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.12 -34.48 22.24 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.82 -41.28 87.73 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 116.696 -1.621 . . . . 0.0 114.267 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.46 -51.28 24.64 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 120.437 1.471 . . . . 0.0 113.981 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -141.84 119.16 11.49 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.11 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.48 126.55 31.23 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -169.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -123.83 103.38 34.1 Favored Pre-proline 0 CA--C 1.593 2.596 0 N-CA-C 100.55 -3.871 . . . . 0.0 100.55 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 32.3 Cg_exo 64.18 -105.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.794 0 CA-C-N 126.53 3.368 . . . . 0.0 110.472 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 CA--C 1.57 1.713 0 O-C-N 124.6 1.187 . . . . 0.0 109.754 166.121 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.565 1.535 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 13.6 m-85 -74.42 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 116.726 -1.607 . . . . 0.0 110.88 -166.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.273 15.1 t -138.68 -101.13 0.17 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 102.713 -3.069 . . . . 0.0 102.713 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.0 ptt85 -150.89 85.65 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.282 2.31 . . . . 0.0 109.702 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t 31.62 51.58 0.17 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -135.97 -30.54 0.96 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.798 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -79.84 -57.45 3.65 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 116.521 -1.704 . . . . 0.0 111.756 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -41.83 -49.12 4.44 Favored 'General case' 0 N--CA 1.506 2.338 0 CA-C-N 121.709 2.049 . . . . 0.0 115.36 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.39 -29.09 66.77 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 118.132 2.642 . . . . 0.0 118.132 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.69 -55.26 13.91 Favored 'General case' 0 CA--C 1.582 2.188 0 C-N-CA 124.879 1.272 . . . . 0.0 112.019 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.77 -47.8 71.05 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 115.684 -2.103 . . . . 0.0 114.941 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.71 -30.48 67.04 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 121.825 2.102 . . . . 0.0 115.307 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.35 -36.62 77.05 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.544 166.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.6 -52.73 23.41 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -132.91 -52.33 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -167.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 126.69 1.996 . . . . 0.0 114.063 -174.862 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.46 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.49 124.98 8.9 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 104.899 -2.259 . . . . 0.0 104.899 162.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.74 110.15 4.82 Favored Pre-proline 0 CA--C 1.591 2.524 0 CA-C-O 113.427 -3.178 . . . . 0.0 104.106 167.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.41 22.3 Cg_exo 45.59 52.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 0 CA-C-N 127.827 3.831 . . . . 0.0 117.692 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.29 62.8 p . . . . . 0 N--CA 1.504 2.228 0 C-N-CA 126.094 1.758 . . . . 0.0 115.719 -165.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.566 1.573 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.46 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 49.3 m-85 -98.0 -112.29 0.16 Allowed 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 137.56 23.24 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.756 2.023 . . . . 0.0 106.052 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -34.14 93.44 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 -167.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p 41.3 56.94 3.03 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -141.51 -37.39 0.42 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.536 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.21 -53.29 17.69 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.159 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.13 -45.21 68.24 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 121.784 2.084 . . . . 0.0 114.624 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.73 64.37 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -54.76 15.76 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-N 120.179 1.354 . . . . 0.0 112.21 169.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.32 -45.47 76.35 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 115.543 -2.17 . . . . 0.0 115.302 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.94 -26.63 65.17 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 121.987 2.176 . . . . 0.0 116.218 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -38.06 71.91 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.607 1.548 . . . . 0.0 114.965 166.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.56 -54.86 12.05 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -141.76 106.38 4.87 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 -168.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -177.377 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.75 126.59 11.11 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 163.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -135.93 90.07 19.65 Favored Pre-proline 0 CA--C 1.593 2.62 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 166.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.428 57.1 Cg_endo 44.61 63.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 C-N-CA 124.893 3.728 . . . . 0.0 116.588 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.292 59.3 p . . . . . 0 CA--C 1.581 2.154 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -166.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 CA--C 1.574 1.897 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -124.27 -127.96 0.25 Allowed 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -139.03 124.28 19.12 Favored 'General case' 0 N--CA 1.473 0.708 1 N-CA-C 99.54 -4.244 . . . . 0.0 99.54 166.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.469 20.1 ptt-85 -22.14 -50.15 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.108 1 N-CA-C 124.891 5.145 . . . . 0.0 124.891 -160.894 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -131.16 -42.59 1.08 Allowed 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -172.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.96 -31.66 73.01 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.04 -63.7 1.09 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.801 -169.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.26 6.9 tt -52.0 -43.26 63.56 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 121.272 1.851 . . . . 0.0 114.883 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.3 69.35 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.842 2.534 . . . . 0.0 117.842 167.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.98 -54.09 17.13 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 124.751 1.22 . . . . 0.0 111.931 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.13 -40.63 78.16 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 114.742 -2.552 . . . . 0.0 116.006 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.22 -38.39 87.83 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-N 123.205 2.73 . . . . 0.0 115.813 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.26 42.7 ptt85 -62.78 -40.42 97.26 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 167.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.81 -53.58 31.37 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.31 106.86 4.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -177.588 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.462 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.31 125.66 9.41 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 162.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 t -137.59 106.91 8.39 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 166.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 38.5 Cg_exo 61.18 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.874 0 CA-C-N 127.566 3.738 . . . . 0.0 111.266 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 CA--C 1.569 1.673 0 O-C-N 124.568 1.167 . . . . 0.0 110.416 166.39 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.567 1.6 0 N-CA-C 105.064 -2.199 . . . . 0.0 105.064 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.462 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.3 m-85 -95.48 -113.82 0.12 Allowed 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -169.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -150.74 116.57 5.53 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 23.74 67.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 120.482 3.512 . . . . 0.0 120.482 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 7.9 t 64.18 -40.75 0.24 Allowed 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -48.32 -24.25 1.15 Allowed 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 119.944 3.312 . . . . 0.0 119.944 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -87.1 -64.79 1.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.084 -2.389 . . . . 0.0 111.314 -168.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.7 -32.19 65.23 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 123.229 2.74 . . . . 0.0 116.053 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.84 68.21 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 166.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 86.3 tttt -72.05 -60.07 2.42 Favored 'General case' 0 CA--C 1.583 2.213 0 C-N-CA 125.605 1.562 . . . . 0.0 110.647 167.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -53.04 -40.94 64.31 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.99 -34.97 79.21 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 121.193 1.815 . . . . 0.0 115.718 171.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -60.23 -43.25 96.2 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.25 -54.13 10.48 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 169.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -141.27 120.59 13.07 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -167.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -179.501 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.28 133.62 15.37 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.29 1.859 . . . . 0.0 106.653 168.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -124.06 105.29 31.89 Favored Pre-proline 0 CA--C 1.591 2.55 0 N-CA-C 102.059 -3.311 . . . . 0.0 102.059 167.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.5 Cg_exo 64.01 -103.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.886 0 CA-C-N 126.92 3.507 . . . . 0.0 110.218 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 CA--C 1.568 1.669 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.79 166.013 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.561 1.383 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.271 13.5 m-85 -100.45 -104.7 0.24 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 -175.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -142.27 124.67 15.65 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 121.575 1.988 . . . . 0.0 106.585 168.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -21.01 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -168.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 14.5 m 66.42 -36.32 0.25 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -46.49 -31.66 2.86 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 119.445 3.128 . . . . 0.0 119.445 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -87.59 -47.88 8.35 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 115.411 -2.233 . . . . 0.0 113.748 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.28 -34.65 78.84 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 122.32 2.327 . . . . 0.0 115.138 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.78 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 116.615 2.079 . . . . 0.0 116.615 167.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -65.26 -43.13 92.29 Favored 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 125.897 1.679 . . . . 0.0 113.376 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.91 -41.57 59.46 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 115.56 -2.162 . . . . 0.0 115.056 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.61 -36.61 81.23 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 121.891 2.132 . . . . 0.0 116.351 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.03 -36.12 81.41 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 116.607 -1.663 . . . . 0.0 114.419 167.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.43 -53.64 27.34 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -142.87 107.55 4.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 104.211 -2.515 . . . . 0.0 104.211 -168.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -178.128 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.4 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.87 127.72 9.57 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 164.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.05 105.67 5.69 Favored Pre-proline 0 CA--C 1.592 2.572 0 N-CA-C 102.815 -3.031 . . . . 0.0 102.815 166.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.523 34.2 Cg_exo 61.7 -110.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.932 0 CA-C-N 127.386 3.674 . . . . 0.0 111.312 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 CA--C 1.571 1.754 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 166.399 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 CA--C 1.576 1.943 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.4 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 76.8 m-85 -102.1 -124.74 0.19 Allowed 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -168.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 75.3 m -130.33 -110.83 0.26 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.341 14.7 ptp180 -139.66 78.49 1.67 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 122.788 2.54 . . . . 0.0 109.837 -169.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m 19.38 50.49 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.109 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -170.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -112.78 -35.96 5.31 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.166 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.251 12.1 pt-20 -81.51 -64.32 1.21 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 126.163 1.785 . . . . 0.0 113.018 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.44 -45.66 56.02 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.57 68.97 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 168.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.92 -51.56 25.29 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.747 168.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.92 -45.19 93.36 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 115.455 -2.212 . . . . 0.0 116.497 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.12 -37.51 85.89 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 122.194 2.27 . . . . 0.0 116.186 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -65.55 -36.77 84.78 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 116.695 -1.622 . . . . 0.0 114.623 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.68 -54.55 15.6 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 120.415 1.462 . . . . 0.0 114.865 169.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -143.65 107.94 4.78 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -168.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 178.51 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.68 125.78 9.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 164.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t -137.97 105.87 8.1 Favored Pre-proline 0 CA--C 1.59 2.519 0 N-CA-C 102.524 -3.139 . . . . 0.0 102.524 166.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 31.4 Cg_exo 63.15 -109.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.928 0 CA-C-N 126.989 3.532 . . . . 0.0 110.854 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 CA--C 1.57 1.733 0 O-C-N 124.575 1.172 . . . . 0.0 110.709 166.121 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 m . . . . . 0 CA--C 1.583 2.245 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -122.22 -119.59 0.29 Allowed 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.043 -168.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -115.54 -78.52 0.58 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 115.919 -1.991 . . . . 0.0 107.0 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.467 20.7 ptt-85 -151.0 -71.73 0.17 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.045 2.657 . . . . 0.0 112.418 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -136.95 -30.7 0.86 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.8 -26.61 47.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 170.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -80.22 -64.12 1.26 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 115.813 -2.042 . . . . 0.0 112.008 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -37.78 71.94 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.458 2.39 . . . . 0.0 115.659 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.48 69.87 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 166.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.8 -57.3 5.26 Favored 'General case' 0 CA--C 1.582 2.21 0 C-N-CA 125.037 1.335 . . . . 0.0 111.01 167.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.53 -36.76 84.86 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 115.258 -2.306 . . . . 0.0 116.718 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.19 -36.38 75.25 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.366 2.348 . . . . 0.0 117.182 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -64.47 -39.35 93.65 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.909 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.22 -53.45 19.86 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -143.43 119.67 10.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -167.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 1.3 t80 . . . . . 0 N--CA 1.509 2.516 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 p 25.92 118.09 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -167.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -140.81 106.54 6.34 Favored Pre-proline 0 CA--C 1.595 2.707 0 N-CA-C 100.947 -3.723 . . . . 0.0 100.947 166.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 31.5 Cg_exo 64.5 -119.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.897 0 CA-C-N 126.791 3.461 . . . . 0.0 111.342 -176.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.492 1.632 0 O-C-N 124.625 1.203 . . . . 0.0 110.432 167.011 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 CA--C 1.575 1.917 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.407 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 80.4 m-85 -82.72 -109.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 116.941 -1.504 . . . . 0.0 109.38 -167.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 48.7 m -131.75 -101.95 0.28 Allowed 'General case' 0 C--N 1.359 0.994 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.327 36.0 ptt180 -152.28 88.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.973 2.624 . . . . 0.0 110.128 -168.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.13 50.69 0.25 Allowed 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 119.208 3.04 . . . . 0.0 119.208 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -138.04 -42.57 0.52 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.583 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.3 -39.02 93.07 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 115.735 -2.079 . . . . 0.0 116.135 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.81 -48.74 75.62 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 121.849 2.113 . . . . 0.0 113.842 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.01 -32.13 72.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -66.65 -52.68 42.26 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 124.729 1.211 . . . . 0.0 111.841 167.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.57 -41.3 76.02 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 115.207 -2.33 . . . . 0.0 116.103 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.13 -37.26 86.8 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-N 122.269 2.304 . . . . 0.0 116.186 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.96 -36.64 83.89 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.643 -1.646 . . . . 0.0 114.549 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.72 -53.88 23.88 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.6 107.75 4.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 -177.866 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.85 125.8 9.13 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 164.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -139.98 107.24 6.86 Favored Pre-proline 0 CA--C 1.591 2.551 0 N-CA-C 102.287 -3.227 . . . . 0.0 102.287 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 38.0 Cg_exo 61.54 -112.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.937 0 CA-C-N 127.308 3.646 . . . . 0.0 111.202 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 CA--C 1.569 1.698 0 O-C-N 124.612 1.195 . . . . 0.0 110.351 166.155 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.574 1.903 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.401 ' H ' ' CB ' ' A' ' 1' ' ' TYR . 92.1 m-85 -106.79 -127.82 0.26 Allowed 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 125.029 1.331 . . . . 0.0 108.449 -166.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 t -102.08 -83.73 0.46 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.46 25.5 ptt180 -149.96 -70.25 0.19 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 122.965 2.62 . . . . 0.0 112.735 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -134.91 -27.55 1.26 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.28 -40.45 81.93 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 170.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.63 -47.48 59.84 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 115.672 -2.109 . . . . 0.0 115.56 -169.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.26 -44.17 88.96 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 122.733 2.515 . . . . 0.0 114.047 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.18 70.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 117.803 2.519 . . . . 0.0 117.803 167.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -71.06 -62.33 1.44 Allowed 'General case' 0 CA--C 1.576 1.955 0 C-N-CA 125.18 1.392 . . . . 0.0 110.89 167.727 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.26 -22.54 66.32 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.907 -2.949 . . . . 0.0 117.446 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.32 -39.73 95.36 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 124.406 3.275 . . . . 0.0 116.931 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.14 -40.58 96.46 Favored 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 117.031 -1.461 . . . . 0.0 114.865 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -67.43 -52.58 37.94 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.89 107.45 4.82 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 -168.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -176.082 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.7 112.89 12.54 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -171.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -110.04 101.96 49.19 Favored Pre-proline 0 CA--C 1.593 2.616 0 N-CA-C 100.271 -3.974 . . . . 0.0 100.271 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.527 46.3 Cg_exo 66.17 -107.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.744 0 CA-C-N 126.204 3.252 . . . . 0.0 110.143 -171.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.567 1.632 0 O-C-N 124.471 1.107 . . . . 0.0 109.662 166.15 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 CA--C 1.561 1.393 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 0.3 OUTLIER -90.71 -120.98 0.07 Allowed 'General case' 0 CA--C 1.585 2.316 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -168.038 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -132.89 121.65 23.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 102.938 -2.986 . . . . 0.0 102.938 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -39.65 -51.06 2.3 Favored 'General case' 0 CA--C 1.562 1.409 1 N-CA-C 123.014 4.45 . . . . 0.0 123.014 -163.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -106.75 -48.02 3.61 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 119.043 2.979 . . . . 0.0 119.043 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.51 -15.39 63.64 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -117.03 148.21 41.68 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.121 1.368 . . . . 0.0 108.309 -171.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.379 5.9 tp 61.33 -30.47 0.07 Allowed 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 -167.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.82 88.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.338 1.426 . . . . 0.0 114.723 164.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.37 -45.55 72.48 Favored 'General case' 0 CA--C 1.574 1.886 0 C-N-CA 125.523 1.529 . . . . 0.0 112.597 169.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.22 -43.64 86.08 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.707 -2.092 . . . . 0.0 115.605 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.81 -37.15 83.35 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-N 121.69 2.041 . . . . 0.0 116.276 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.2 -36.72 83.8 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.447 168.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.22 -53.72 27.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.76 4.99 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 -168.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -177.63 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 33.37 111.54 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.977 2.911 . . . . 0.0 115.141 -165.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 t -117.31 105.45 48.64 Favored Pre-proline 0 CA--C 1.593 2.63 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 32.4 Cg_exo 62.38 -100.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.791 0 CA-C-N 126.981 3.529 . . . . 0.0 110.526 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 CA--C 1.572 1.815 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.55 166.265 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 CA--C 1.568 1.665 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -118.03 -123.86 0.29 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 -168.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.8 m -152.71 114.62 4.36 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 14.96 64.3 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 120.4 3.481 . . . . 0.0 120.4 169.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t 30.29 43.96 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 121.704 3.965 . . . . 0.0 121.704 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -105.4 -38.42 6.49 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.237 164.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.06 -57.76 3.75 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.078 -1.915 . . . . 0.0 115.12 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.42 -40.85 75.41 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.499 2.409 . . . . 0.0 115.742 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -27.19 68.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -72.91 -52.19 15.66 Favored 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 117.265 -1.35 . . . . 0.0 111.254 167.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.92 -42.45 99.11 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 115.512 -2.185 . . . . 0.0 116.858 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.05 -42.92 86.43 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 122.113 2.233 . . . . 0.0 115.946 -175.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.256 34.4 ptt180 -65.44 -39.89 92.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 167.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.72 -49.0 76.8 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.312 54.9 m-70 -123.57 -116.04 0.3 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 116.633 -1.651 . . . . 0.0 106.554 -167.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 121.967 2.167 . . . . 0.0 114.638 -172.473 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.95 125.72 9.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -138.57 107.04 7.71 Favored Pre-proline 0 CA--C 1.59 2.506 0 N-CA-C 102.446 -3.168 . . . . 0.0 102.446 166.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 35.3 Cg_exo 61.83 -110.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.966 0 CA-C-N 127.332 3.654 . . . . 0.0 111.187 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 CA--C 1.568 1.652 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 166.18 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.573 1.851 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -106.54 -122.63 0.23 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 124.853 1.261 . . . . 0.0 108.354 -167.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -108.97 -81.35 0.57 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 115.679 -2.105 . . . . 0.0 105.938 172.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.465 7.0 ptm180 -150.3 -71.15 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 123.318 2.781 . . . . 0.0 113.098 -177.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.1 p -135.6 -29.54 1.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.77 -34.83 73.51 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.24 -60.32 2.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 115.86 -2.019 . . . . 0.0 113.945 -169.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.79 -41.1 85.9 Favored 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 122.289 2.313 . . . . 0.0 114.978 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.66 -29.01 70.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 167.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -70.45 -56.99 5.29 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 124.929 1.291 . . . . 0.0 111.396 167.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.97 -28.32 65.44 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 114.567 -2.635 . . . . 0.0 116.398 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.1 -38.81 87.63 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 123.452 2.842 . . . . 0.0 116.971 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -39.57 94.16 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.945 -1.503 . . . . 0.0 114.865 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -66.89 -53.2 34.54 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 169.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -141.92 107.33 5.03 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 104.173 -2.528 . . . . 0.0 104.173 -168.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -177.508 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.2 124.51 8.85 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 163.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.76 106.21 10.69 Favored Pre-proline 0 CA--C 1.59 2.514 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 166.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 31.3 Cg_exo 62.93 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.923 0 CA-C-N 127.109 3.575 . . . . 0.0 110.743 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.568 1.652 0 O-C-N 124.693 1.246 . . . . 0.0 110.189 166.012 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.576 1.956 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -126.45 -130.85 0.24 Allowed 'General case' 0 CA--C 1.583 2.222 0 C-N-CA 124.854 1.262 . . . . 0.0 108.101 -166.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m -102.35 -102.28 0.28 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 102.134 -3.284 . . . . 0.0 102.134 168.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.407 10.8 ptm180 -153.34 -58.93 0.13 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 125.385 3.72 . . . . 0.0 117.147 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -124.75 -41.64 2.11 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.74 -37.39 84.56 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.259 16.7 tp10 -71.18 -51.45 24.76 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -167.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.5 -46.82 88.72 Favored 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 122.058 2.208 . . . . 0.0 114.351 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -22.13 66.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 50.6 tttp -67.04 -54.29 23.01 Favored 'General case' 0 CA--C 1.577 2.018 0 C-N-CA 125.239 1.415 . . . . 0.0 112.087 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.38 -46.5 83.06 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 115.786 -2.054 . . . . 0.0 116.03 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.52 -36.04 76.05 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.731 2.059 . . . . 0.0 114.788 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.95 -37.4 87.52 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.866 -1.54 . . . . 0.0 114.48 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.04 -51.69 44.03 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -141.08 107.54 5.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 -168.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -177.815 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.102 0.477 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.22 124.78 9.67 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 161.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.5 105.21 13.18 Favored Pre-proline 0 CA--C 1.591 2.546 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 167.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.513 31.6 Cg_exo 63.07 -101.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.944 0 CA-C-N 127.191 3.604 . . . . 0.0 110.618 -176.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.493 1.681 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.71 165.787 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.57 1.713 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.26 -130.05 0.21 Allowed 'General case' 0 CA--C 1.591 2.541 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.44 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 32.1 t -119.24 148.97 42.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.558 2.343 . . . . 0.0 105.022 167.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -59.3 -53.98 52.0 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 119.364 3.098 . . . . 0.0 119.364 -164.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -122.89 -44.09 2.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.24 -13.58 62.11 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 173.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' HG2' ' H ' ' A' ' 9' ' ' SER 0.32 4.1 tp10 -103.55 -73.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.71 -2.09 . . . . 0.0 111.797 -167.248 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -57.99 -31.55 67.03 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 122.879 2.581 . . . . 0.0 115.348 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.51 69.95 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 165.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -47.56 58.97 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.22 1.408 . . . . 0.0 113.03 168.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.15 -46.39 81.1 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 115.949 -1.977 . . . . 0.0 115.377 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.36 -37.06 81.98 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -66.39 -36.66 83.41 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 116.669 -1.634 . . . . 0.0 114.424 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.2 -53.69 27.99 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.82 5.01 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.813 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.429 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 1.3 t80 . . . . . 0 N--CA 1.506 2.362 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.35 123.67 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 129.405 3.082 . . . . 0.0 116.079 -166.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -151.25 113.14 3.05 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 102.847 -3.02 . . . . 0.0 102.847 168.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.408 25.0 Cg_exo 48.13 50.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 CA-C-N 127.43 3.689 . . . . 0.0 117.491 173.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.285 69.9 p . . . . . 0 N--CA 1.504 2.237 0 C-N-CA 126.024 1.73 . . . . 0.0 115.611 -165.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 CA--C 1.571 1.756 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 99.5 m-85 -86.79 -118.58 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 117.389 -1.291 . . . . 0.0 108.159 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -110.15 -93.4 0.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 101.77 -3.418 . . . . 0.0 101.77 169.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.443 14.2 ptp180 -143.36 -65.85 0.38 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 122.809 2.55 . . . . 0.0 113.688 -171.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 t -136.57 -30.29 0.92 Allowed 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.43 -37.69 75.92 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.392 2.368 . . . . 0.0 117.392 171.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -71.96 -49.88 33.61 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 115.64 -2.124 . . . . 0.0 115.151 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.21 -42.9 99.36 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 121.994 2.179 . . . . 0.0 114.486 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.11 77.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 168.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -66.45 -49.31 67.11 Favored 'General case' 0 CA--C 1.582 2.194 0 C-N-CA 124.949 1.299 . . . . 0.0 111.99 166.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.15 -39.18 63.45 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 115.118 -2.373 . . . . 0.0 115.585 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.98 -31.11 70.71 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 122.396 2.362 . . . . 0.0 116.917 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -66.13 -42.44 89.13 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 116.653 -1.641 . . . . 0.0 114.327 169.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.51 -52.08 17.26 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.579 1.536 . . . . 0.0 113.854 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -141.28 119.61 12.22 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.218 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 p90 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 126.47 31.08 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -169.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -136.47 110.18 9.62 Favored Pre-proline 0 CA--C 1.594 2.668 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.417 24.7 Cg_exo 49.36 46.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.675 0 CA-C-N 127.067 3.56 . . . . 0.0 117.616 175.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.313 34.6 t . . . . . 0 N--CA 1.507 2.405 0 C-N-CA 125.848 1.659 . . . . 0.0 114.518 -165.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 CA--C 1.568 1.641 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.276 7.2 m-85 -76.3 -96.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.902 -165.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 19.1 t -136.08 -95.93 0.24 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 172.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.512 28.0 ptt180 -136.76 -88.16 0.3 Allowed 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 122.273 2.306 . . . . 0.0 109.243 -169.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -140.28 77.91 1.63 Allowed 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 121.61 2.005 . . . . 0.0 110.011 169.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -158.77 -33.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 127.029 2.131 . . . . 0.0 111.629 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.4 -62.97 1.47 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 115.969 -1.967 . . . . 0.0 111.681 -168.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -46.44 -42.05 14.75 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 122.396 2.362 . . . . 0.0 116.019 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.95 73.67 Favored 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 168.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.61 -58.18 5.14 Favored 'General case' 0 CA--C 1.585 2.305 0 C-N-CA 125.532 1.533 . . . . 0.0 111.532 167.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -37.78 88.79 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 114.704 -2.57 . . . . 0.0 116.232 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.13 -29.97 67.79 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-N 123.073 2.67 . . . . 0.0 117.42 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -66.9 -43.12 84.21 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 116.854 -1.546 . . . . 0.0 114.316 169.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -54.72 12.63 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -139.4 107.29 5.67 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -167.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -177.988 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.28 116.0 15.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.04 -1.038 . . . . 0.0 108.44 -168.462 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.6 t -107.85 103.47 49.75 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 100.673 -3.825 . . . . 0.0 100.673 173.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.526 48.2 Cg_exo 66.5 -106.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.79 0 CA-C-N 126.26 3.271 . . . . 0.0 110.073 -171.546 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.567 1.604 0 O-C-N 124.567 1.167 . . . . 0.0 109.194 166.138 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 CA--C 1.57 1.712 0 N-CA-C 102.049 -3.315 . . . . 0.0 102.049 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.86 -126.02 0.12 Allowed 'General case' 0 CA--C 1.586 2.346 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -169.268 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -118.71 123.67 45.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 166.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.272 43.7 mtm180 -48.67 -61.45 2.02 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -161.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p -122.31 68.23 0.94 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.118 1.781 . . . . 0.0 114.521 -171.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -172.53 -41.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 127.124 2.17 . . . . 0.0 110.875 169.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.269 5.3 tp10 -70.09 -62.09 1.52 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.165 2.186 . . . . 0.0 115.966 -167.354 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.68 -35.36 79.95 Favored 'General case' 0 N--CA 1.504 2.249 0 CA-C-N 121.587 1.994 . . . . 0.0 114.611 176.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -28.63 70.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 165.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -70.34 -51.29 31.15 Favored 'General case' 0 CA--C 1.581 2.158 0 C-N-CA 124.994 1.318 . . . . 0.0 111.202 165.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.95 -43.05 93.97 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.02 -34.73 70.37 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.06 -38.17 87.65 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 116.762 -1.59 . . . . 0.0 114.526 168.228 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.68 -54.21 14.95 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 169.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -144.03 118.62 9.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -168.058 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.159 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.21 115.09 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 129.398 3.079 . . . . 0.0 114.926 -164.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.71 105.78 20.85 Favored Pre-proline 0 CA--C 1.594 2.652 0 N-CA-C 100.983 -3.71 . . . . 0.0 100.983 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 31.2 Cg_exo 62.06 -102.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.836 0 CA-C-N 127.153 3.59 . . . . 0.0 110.668 -174.484 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 CA--C 1.571 1.759 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.23 166.321 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.563 1.477 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.04 -115.55 0.25 Allowed 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.342 68.5 m -112.53 -120.91 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 168.089 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.34 57.7 mtp85 -131.55 -113.05 0.24 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 115.363 -2.256 . . . . 0.0 107.307 -164.579 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -84.58 -28.77 26.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 118.129 2.64 . . . . 0.0 118.129 -175.634 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.95 -39.45 92.15 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 169.554 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.09 155.38 30.6 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.814 1.245 . . . . 0.0 110.764 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.386 0.6 OUTLIER 75.37 -47.28 0.6 Allowed 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 -169.168 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.66 73.73 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 164.445 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -69.5 -55.19 10.92 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 125.385 1.474 . . . . 0.0 110.575 165.223 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.89 -38.38 82.94 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 115.171 -2.347 . . . . 0.0 117.146 -177.061 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.92 -35.73 82.08 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 122.415 2.371 . . . . 0.0 115.805 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -63.83 -39.49 94.34 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.92 -1.514 . . . . 0.0 114.67 168.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.1 -54.57 14.32 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -141.6 105.84 4.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 -168.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -176.974 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CB ' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.54 125.39 9.8 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 162.648 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.1 105.35 9.54 Favored Pre-proline 0 CA--C 1.591 2.539 0 N-CA-C 102.375 -3.194 . . . . 0.0 102.375 166.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 34.1 Cg_exo 62.29 -106.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.91 0 CA-C-N 127.329 3.653 . . . . 0.0 110.808 -176.549 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.57 1.735 0 O-C-N 124.626 1.204 . . . . 0.0 110.231 165.994 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.57 1.713 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.409 ' H ' ' CB ' ' A' ' 1' ' ' TYR . 2.2 m-85 -126.48 -131.04 0.24 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -173.114 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 73.5 m -113.8 143.76 44.12 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.713 2.405 . . . . 0.0 105.372 168.483 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -52.2 -53.71 40.0 Favored 'General case' 0 CA--C 1.561 1.377 1 N-CA-C 122.178 4.14 . . . . 0.0 122.178 -164.748 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -122.43 -48.16 2.08 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -168.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.57 -33.66 75.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 9' ' ' SER 0.266 4.8 tp10 -70.98 -59.94 2.51 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.943 -1.979 . . . . 0.0 115.354 -168.203 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.63 -39.74 92.37 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 122.125 2.239 . . . . 0.0 114.855 177.654 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.08 -29.32 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 166.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -69.31 -53.51 19.3 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 125.092 1.357 . . . . 0.0 111.587 166.758 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.0 -40.96 97.41 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.53 -38.98 89.4 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 178.639 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.263 34.4 ptt180 -62.78 -40.86 98.6 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 167.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.91 -52.53 49.16 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.478 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -141.95 107.09 4.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -168.589 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -177.788 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.492 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.69 125.56 9.79 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 164.767 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -149.71 107.25 3.28 Favored Pre-proline 0 CA--C 1.593 2.626 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 167.155 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.535 29.5 Cg_exo 60.32 -125.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.885 0 CA-C-N 127.044 3.552 . . . . 0.0 112.082 178.406 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 N--CA 1.492 1.655 0 O-C-N 124.726 1.266 . . . . 0.0 110.032 166.415 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p . . . . . 0 CA--C 1.574 1.873 1 N-CA-C 100.112 -4.033 . . . . 0.0 100.112 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.492 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.3 m-85 -85.68 -127.16 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.78 1.632 . . . . 0.0 109.087 -166.8 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -111.28 -95.48 0.43 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 101.6 -3.482 . . . . 0.0 101.6 169.503 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.451 14.5 ptp180 -141.74 -68.14 0.38 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 123.897 3.044 . . . . 0.0 114.019 -169.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -136.23 -28.21 1.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 177.227 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.45 -39.14 82.65 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 169.447 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.4 -58.67 3.7 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 116.437 -1.745 . . . . 0.0 114.802 -169.067 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -53.28 -43.12 67.24 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 121.594 1.997 . . . . 0.0 114.942 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.93 64.91 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 169.099 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -66.66 -54.85 18.79 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 120.307 1.412 . . . . 0.0 112.284 168.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.55 -44.67 81.71 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 115.749 -2.072 . . . . 0.0 115.359 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.93 -29.9 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.676 2.035 . . . . 0.0 115.308 174.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.86 -38.12 76.32 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.705 167.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.77 -54.04 18.31 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -142.08 107.11 4.93 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -168.646 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.509 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.487 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.0 125.7 8.98 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 163.343 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -139.34 107.9 7.3 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 166.068 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 38.1 Cg_exo 60.79 -109.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 CA-C-N 127.464 3.702 . . . . 0.0 111.446 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.569 1.697 0 O-C-N 124.649 1.218 . . . . 0.0 110.121 166.388 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 CA--C 1.568 1.666 0 N-CA-C 104.095 -2.558 . . . . 0.0 104.095 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.487 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 97.0 m-85 -93.44 -117.2 0.09 Allowed 'General case' 0 CA--C 1.572 1.808 0 C-N-CA 125.176 1.391 . . . . 0.0 108.513 -167.578 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 57.4 m -130.16 -102.07 0.3 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.33 23.2 ptt-85 -149.53 87.18 1.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 123.34 2.791 . . . . 0.0 110.496 -168.28 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m 33.12 50.73 0.25 Allowed 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -177.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.75 -33.01 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.166 171.354 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -75.82 -59.3 2.81 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.36 -169.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -50.58 -43.01 56.31 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 122.313 2.324 . . . . 0.0 115.518 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -30.86 69.81 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 168.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.39 -54.24 18.53 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.711 1.204 . . . . 0.0 112.29 168.486 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.22 -40.02 90.03 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 114.945 -2.455 . . . . 0.0 116.113 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.74 -37.8 88.71 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 122.797 2.544 . . . . 0.0 116.468 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.43 -37.51 87.14 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 116.81 -1.567 . . . . 0.0 114.686 168.879 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.39 -53.95 24.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 169.455 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.42 107.51 4.95 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 -168.611 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -177.641 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -73.53 125.93 29.09 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.281 -0.887 . . . . 0.0 112.318 -168.396 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 37.4 t -149.88 106.43 3.23 Favored Pre-proline 0 CA--C 1.596 2.743 0 N-CA-C 101.016 -3.698 . . . . 0.0 101.016 167.745 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 33.4 Cg_exo 62.25 -136.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.792 0 CA-C-N 126.606 3.395 . . . . 0.0 112.889 -178.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.494 1.738 0 O-C-N 124.282 0.988 . . . . 0.0 110.871 166.981 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 CA--C 1.579 2.086 1 N-CA-C 100.12 -4.03 . . . . 0.0 100.12 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.266 4.0 m-85 -77.8 -100.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.981 -166.756 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.261 8.1 t -141.1 -100.87 0.14 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.2 ptt85 -151.95 87.17 1.33 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 122.234 2.288 . . . . 0.0 109.861 -169.141 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.44 54.69 0.48 Allowed 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -174.542 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.92 -48.15 0.32 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 126.217 1.807 . . . . 0.0 110.381 173.4 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -61.2 -43.58 98.66 Favored 'General case' 0 CA--C 1.568 1.652 0 C-N-CA 126.699 2.0 . . . . 0.0 115.425 175.081 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.82 -50.68 73.07 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.466 1.484 . . . . 0.0 113.388 175.507 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.04 66.17 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 169.067 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -66.86 -57.07 7.72 Favored 'General case' 0 CA--C 1.576 1.962 0 CA-C-N 120.08 1.309 . . . . 0.0 112.281 169.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.51 -44.01 75.57 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 115.331 -2.271 . . . . 0.0 115.856 178.049 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.78 -37.89 76.52 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.438 2.381 . . . . 0.0 115.263 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -66.42 -36.08 81.91 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.62 -1.657 . . . . 0.0 114.404 167.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.78 -53.72 24.97 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 169.403 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.08 107.67 5.08 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 104.289 -2.485 . . . . 0.0 104.289 -168.652 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -177.528 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.512 2.637 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.64 128.88 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 129.609 3.164 . . . . 0.0 116.639 -167.871 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -155.31 107.44 2.24 Favored Pre-proline 0 CA--C 1.597 2.776 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 167.83 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.528 36.1 Cg_exo 64.36 -120.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 CA-C-N 126.962 3.522 . . . . 0.0 111.375 -177.934 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.568 1.666 0 O-C-N 124.664 1.228 . . . . 0.0 109.815 166.688 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.559 1.327 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.57 -109.62 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.059 0 CA-C-O 117.096 -1.431 . . . . 0.0 107.197 -168.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -154.94 133.89 12.25 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.019 2.128 . . . . 0.0 105.549 172.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -33.58 92.63 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 N-CA-C 120.613 3.56 . . . . 0.0 120.613 -167.508 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t 45.06 58.39 4.09 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 174.064 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -145.48 -40.15 0.24 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 113.007 -1.906 . . . . 0.0 110.285 168.747 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.43 -48.46 72.67 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.171 1.788 . . . . 0.0 114.861 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.19 -47.84 77.54 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 121.368 1.895 . . . . 0.0 114.29 175.283 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -28.05 64.82 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 169.062 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.19 -56.32 9.15 Favored 'General case' 0 CA--C 1.578 2.023 0 CA-C-N 120.072 1.306 . . . . 0.0 112.113 169.298 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.4 -46.12 77.66 Favored 'General case' 0 CA--C 1.565 1.537 0 CA-C-O 115.551 -2.166 . . . . 0.0 115.517 177.479 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.2 -29.03 64.66 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 121.98 2.173 . . . . 0.0 115.493 176.215 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -69.83 -38.07 76.41 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.678 -1.63 . . . . 0.0 113.567 167.513 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -53.6 18.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 169.839 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -142.83 120.97 12.17 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -167.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.151 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.444 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.46 125.41 9.86 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 163.864 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -144.02 106.92 4.91 Favored Pre-proline 0 CA--C 1.595 2.676 0 N-CA-C 101.349 -3.574 . . . . 0.0 101.349 166.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.536 34.9 Cg_exo 63.38 -129.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.905 0 CA-C-N 126.562 3.379 . . . . 0.0 111.996 -177.837 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.492 1.628 0 O-C-N 124.527 1.142 . . . . 0.0 109.725 166.715 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.25 19.0 m . . . . . 0 CA--C 1.579 2.071 1 N-CA-C 99.991 -4.077 . . . . 0.0 99.991 . . . . . . . . . 2 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 90.9 m-85 -80.37 -102.27 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.038 0 CA-C-O 116.744 -1.598 . . . . 0.0 109.48 -168.121 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 45.4 m -132.56 -93.65 0.35 Allowed 'General case' 0 C--N 1.359 1.015 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 173.141 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.522 3.4 ptm85 -135.62 -108.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 114.983 -2.437 . . . . 0.0 108.029 -168.626 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -126.96 72.39 1.36 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 123.17 2.714 . . . . 0.0 110.406 169.434 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.62 -38.18 0.2 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.706 2.002 . . . . 0.0 110.835 172.062 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -73.26 -47.68 41.05 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 115.431 -2.223 . . . . 0.0 114.845 -170.299 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.67 -41.72 98.15 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 122.553 2.433 . . . . 0.0 114.543 175.494 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.12 76.97 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 117.508 2.41 . . . . 0.0 117.508 168.726 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -69.63 -55.1 10.98 Favored 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 124.84 1.256 . . . . 0.0 111.491 167.579 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.17 -39.66 87.22 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 116.461 2.022 . . . . 0.0 116.461 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.17 -34.85 78.41 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 121.268 1.849 . . . . 0.0 115.489 170.093 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.58 -38.81 78.69 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 168.565 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.69 -51.98 35.9 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 173.504 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.85 -64.34 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.207 1.003 . . . . 0.0 112.659 -166.529 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.61 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -172.757 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.22 124.35 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 129.571 3.148 . . . . 0.0 116.09 -166.341 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 t -152.1 108.55 2.83 Favored Pre-proline 0 CA--C 1.596 2.725 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 169.076 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.524 37.8 Cg_exo 63.14 -113.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.817 0 CA-C-N 126.886 3.495 . . . . 0.0 111.115 -178.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 CA--C 1.569 1.69 0 O-C-N 124.652 1.22 . . . . 0.0 109.756 166.413 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 CA--C 1.567 1.616 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -79.51 -92.97 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 124.903 1.281 . . . . 0.0 109.197 -169.327 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 68.7 m -135.56 -100.46 0.22 Allowed 'General case' 0 C--N 1.358 0.936 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 172.096 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.437 9.2 ptp180 -145.95 -68.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 123.556 2.889 . . . . 0.0 113.912 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.0 p -130.09 -31.15 1.92 Allowed 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.34 -36.44 82.22 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 167.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.48 153.77 39.0 Favored 'General case' 0 CA--C 1.573 1.829 0 C-N-CA 124.902 1.281 . . . . 0.0 110.817 170.448 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.397 67.2 mt 79.72 -53.35 0.4 Allowed 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 125.978 1.711 . . . . 0.0 111.02 -166.382 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -32.83 69.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 167.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -70.14 -56.56 6.56 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.299 1.44 . . . . 0.0 110.345 165.63 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.36 -41.15 70.09 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 114.897 -2.478 . . . . 0.0 116.846 -174.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.81 -36.44 82.38 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-N 122.746 2.521 . . . . 0.0 115.657 -173.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -65.8 -36.2 82.85 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.671 -1.633 . . . . 0.0 114.667 167.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.97 -54.56 17.67 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.647 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -142.51 107.44 4.91 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -168.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.61 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.63 120.95 22.53 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -169.71 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -110.57 102.76 52.82 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 100.542 -3.873 . . . . 0.0 100.542 174.152 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 33.9 Cg_exo 63.73 -99.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.71 0 CA-C-N 126.678 3.421 . . . . 0.0 110.514 -174.244 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.493 1.714 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.794 165.533 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 CA--C 1.56 1.339 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.26 -97.68 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 116.775 -1.583 . . . . 0.0 109.776 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 48.8 m -133.85 -101.4 0.25 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 102.92 -2.993 . . . . 0.0 102.92 172.544 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.325 10.9 ptm180 -151.11 87.13 1.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 122.518 2.417 . . . . 0.0 109.963 -169.116 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p 32.51 52.3 0.27 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -174.889 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.98 -28.91 0.78 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.783 -2.008 . . . . 0.0 112.959 170.794 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.0 -60.49 2.32 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 116.587 -1.673 . . . . 0.0 111.566 -173.005 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -43.02 -50.11 6.0 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.458 1.935 . . . . 0.0 115.417 174.479 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.66 68.55 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 118.294 2.702 . . . . 0.0 118.294 169.69 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -53.26 18.77 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 124.874 1.269 . . . . 0.0 112.068 168.187 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.68 -46.38 82.62 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 115.744 -2.074 . . . . 0.0 115.299 177.519 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.07 -6.61 23.66 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 173.249 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.65 -41.91 59.47 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 116.686 -1.626 . . . . 0.0 112.079 165.546 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.56 -50.76 34.08 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.228 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -128.1 107.15 9.57 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.209 1.003 . . . . 0.0 108.38 -169.093 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.213 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 126.65 9.87 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 165.059 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 t -132.71 96.54 18.31 Favored Pre-proline 0 CA--C 1.591 2.521 0 N-CA-C 100.709 -3.811 . . . . 0.0 100.709 166.356 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.512 48.4 Cg_exo 65.59 -95.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.733 0 CA-C-N 126.509 3.36 . . . . 0.0 111.582 -172.776 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 168.476 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m . . . . . 0 CA--C 1.585 2.294 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -121.99 -127.91 0.27 Allowed 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -167.248 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 m -110.84 -73.85 0.67 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 115.866 -2.016 . . . . 0.0 107.018 169.076 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.475 20.3 ptt-85 -149.85 -71.29 0.19 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 123.179 2.718 . . . . 0.0 112.948 178.172 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.2 t -136.35 -31.1 0.9 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.37 -34.58 61.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 169.609 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -77.42 -60.55 2.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.905 -169.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.91 -42.78 27.98 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.53 1.968 . . . . 0.0 115.328 177.345 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.29 64.21 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 168.776 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.59 -55.94 14.94 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-N 120.277 1.399 . . . . 0.0 112.068 168.51 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.07 -43.42 95.51 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 115.782 -2.056 . . . . 0.0 115.586 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.71 -32.65 65.9 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 121.604 2.002 . . . . 0.0 115.357 172.342 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -68.1 -38.58 82.48 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 116.797 -1.573 . . . . 0.0 113.932 168.025 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.87 -53.72 19.69 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 169.329 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -141.62 106.99 5.01 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 -168.543 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -177.514 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -72.25 127.02 31.27 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.57 0.623 . . . . 0.0 111.087 -171.737 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -127.72 105.38 20.9 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 167.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 32.3 Cg_exo 64.44 -114.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.881 0 CA-C-N 126.816 3.47 . . . . 0.0 110.79 -174.539 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 124.648 1.217 . . . . 0.0 109.88 166.184 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 CA--C 1.569 1.674 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.25 23.9 m-85 -75.14 -98.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.343 -166.116 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 m -136.77 -97.82 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 102.176 -3.268 . . . . 0.0 102.176 173.246 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.346 22.2 ptt-85 -149.92 82.56 1.39 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 122.177 2.262 . . . . 0.0 109.968 -170.944 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.289 7.9 t 61.84 -41.73 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -177.217 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.44 -29.39 35.18 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 174.238 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.23 -60.67 2.28 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 116.379 -1.772 . . . . 0.0 111.971 -174.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.08 -45.08 32.21 Favored 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 121.64 2.018 . . . . 0.0 115.873 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.23 69.12 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 167.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 3.5 ttmp? -68.85 -57.9 4.91 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 125.247 1.419 . . . . 0.0 111.651 167.701 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.98 -37.77 88.64 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 115.101 -2.38 . . . . 0.0 116.475 179.164 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.32 -37.88 84.87 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 122.622 2.465 . . . . 0.0 116.796 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.48 -38.06 88.67 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.683 169.138 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.02 -53.46 31.09 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 169.512 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.1 107.7 5.08 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 -168.636 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -177.64 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.476 ' H ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER 35.17 103.69 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 129.191 2.996 . . . . 0.0 113.122 -164.344 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.07 100.65 14.15 Favored Pre-proline 0 CA--C 1.592 2.573 0 N-CA-C 100.801 -3.777 . . . . 0.0 100.801 -172.536 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 31.7 Cg_exo 62.75 -102.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.736 0 CA-C-N 126.704 3.43 . . . . 0.0 110.41 -174.001 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 CA--C 1.57 1.719 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.807 165.934 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.476 ' HA ' ' H ' ' A' ' 2' ' ' THR . 11.0 t . . . . . 0 CA--C 1.563 1.464 0 N-CA-C 101.462 -3.532 . . . . 0.0 101.462 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.15 -95.4 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.973 0 CA-C-O 116.832 -1.556 . . . . 0.0 110.2 -166.509 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 49.9 m -136.71 -95.7 0.22 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 170.829 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.441 26.2 ptt180 -139.56 -65.58 0.47 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 122.18 2.264 . . . . 0.0 113.776 -169.259 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -139.06 -29.72 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 175.802 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.56 -35.77 74.9 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 170.049 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -74.18 -57.44 3.95 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 116.685 -1.626 . . . . 0.0 113.86 -169.764 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.83 -39.22 58.45 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.109 1.777 . . . . 0.0 115.356 176.208 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.46 59.82 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 168.035 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -64.94 -57.01 9.87 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 120.488 1.494 . . . . 0.0 111.989 168.784 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.29 -44.38 71.92 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 115.485 -2.198 . . . . 0.0 115.261 -178.342 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 -28.08 60.96 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 121.943 2.156 . . . . 0.0 115.032 177.1 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -70.82 -37.75 73.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 116.527 -1.701 . . . . 0.0 113.381 167.19 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.9 -53.88 15.97 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.885 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -142.62 121.01 12.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -167.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.243 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' TYR . . . . . 0.459 ' HB2' ' H ' ' A' ' 8' ' ' PHE . 90.4 m-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.04 0.447 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.87 123.19 9.61 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 162.164 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.79 95.42 6.32 Favored Pre-proline 0 CA--C 1.59 2.504 0 N-CA-C 100.504 -3.887 . . . . 0.0 100.504 169.224 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 36.3 Cg_exo 63.73 -122.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.763 0 CA-C-N 126.415 3.327 . . . . 0.0 111.207 -172.74 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 165.872 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 CA--C 1.588 2.417 1 N-CA-C 98.379 -4.674 . . . . 0.0 98.379 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.459 ' H ' ' HB2' ' A' ' 1' ' ' TYR 0.254 83.0 m-85 -79.98 -122.07 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 117.449 -1.263 . . . . 0.0 108.367 -165.755 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.312 43.1 m -111.48 -107.23 0.36 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 167.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.251 6.3 mmm180 -135.03 -60.98 0.76 Allowed 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.977 -1.487 . . . . 0.0 114.809 -164.122 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -139.04 -28.68 0.79 Allowed 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 171.703 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -40.95 88.21 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.222 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.79 -49.41 30.72 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 116.361 -1.781 . . . . 0.0 115.225 -169.92 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.38 -38.99 78.43 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.078 1.763 . . . . 0.0 115.064 176.849 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.87 58.66 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 168.871 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 121.059 1.754 . . . . 0.0 113.715 169.254 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.46 -44.68 61.99 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 115.637 -2.125 . . . . 0.0 114.742 -175.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.61 -17.48 62.89 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.654 2.024 . . . . 0.0 115.969 171.701 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -72.93 -45.86 55.77 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 116.851 -1.547 . . . . 0.0 112.696 167.248 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.15 -55.84 5.93 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 173.295 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -140.05 117.3 11.28 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -167.257 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.603 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.56 119.48 20.45 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -169.799 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.95 103.05 54.24 Favored Pre-proline 0 CA--C 1.592 2.57 0 N-CA-C 100.583 -3.858 . . . . 0.0 100.583 173.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.4 Cg_exo 64.16 -103.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.821 0 CA-C-N 126.466 3.345 . . . . 0.0 110.301 -173.923 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 CA--C 1.569 1.689 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.684 165.956 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.563 1.468 0 N-CA-C 104.092 -2.558 . . . . 0.0 104.092 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.77 -95.91 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.763 -167.507 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 50.3 m -130.14 -90.15 0.47 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 169.807 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.459 8.9 ptp180 -136.72 -69.28 0.47 Allowed 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 121.89 2.132 . . . . 0.0 112.281 -171.187 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 t -138.12 -32.91 0.71 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 172.128 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.83 -28.96 38.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 173.925 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -79.26 -64.53 1.16 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 116.349 -1.786 . . . . 0.0 112.446 -168.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -50.03 -42.38 49.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 121.684 2.038 . . . . 0.0 115.536 177.103 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.9 71.55 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 167.754 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.32 -57.33 5.45 Favored 'General case' 0 CA--C 1.583 2.221 0 C-N-CA 125.194 1.398 . . . . 0.0 111.222 167.305 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.29 -35.26 80.47 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 114.688 -2.577 . . . . 0.0 116.468 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.82 -38.61 91.73 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 123.18 2.718 . . . . 0.0 116.621 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -65.13 -38.11 89.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 116.803 -1.57 . . . . 0.0 114.776 169.296 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.16 -53.39 30.99 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 169.438 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.09 107.54 5.04 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 -168.643 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -177.734 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.427 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -155.2 162.42 40.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 126.186 2.179 . . . . 0.0 107.667 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.74 125.54 9.06 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 164.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.09 106.88 3.64 Favored Pre-proline 0 CA--C 1.592 2.562 0 N-CA-C 102.126 -3.287 . . . . 0.0 102.126 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 35.2 Cg_exo 60.84 -122.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.936 0 CA-C-N 126.997 3.535 . . . . 0.0 111.796 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -104.74 64.28 0.73 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.724 1.265 . . . . 0.0 109.74 166.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -102.42 102.67 13.01 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 101.314 -3.587 . . . . 0.0 101.314 166.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.427 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.1 m-85 -83.87 -124.52 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.794 1.637 . . . . 0.0 109.156 -167.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -111.6 -95.22 0.43 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.444 0.0 OUTLIER -141.6 -67.29 0.4 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-N 123.747 2.976 . . . . 0.0 114.141 -169.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.1 p -136.98 -28.7 0.94 Allowed 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.75 -37.32 81.41 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.19 -58.11 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.601 -169.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.52 -42.74 64.61 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.607 2.003 . . . . 0.0 114.976 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.24 65.23 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -67.22 -54.71 18.52 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 120.196 1.362 . . . . 0.0 112.265 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.39 -44.62 82.54 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.75 -2.071 . . . . 0.0 115.33 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.15 -29.69 63.06 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.669 2.031 . . . . 0.0 115.314 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.14 -38.09 75.41 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 116.575 -1.678 . . . . 0.0 113.531 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.89 -54.23 16.71 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 120.606 1.548 . . . . 0.0 114.935 169.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.07 106.92 4.89 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 -168.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.9 -43.81 28.96 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.41 89.32 0.08 OUTLIER Glycine 0 C--N 1.353 1.495 0 CA-C-N 119.687 1.13 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 120.876 -1.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.93 147.16 11.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 116.431 -3.918 . . . . 0.0 110.099 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.01 124.77 9.11 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 165.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -148.89 106.57 3.43 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.366 -3.568 . . . . 0.0 101.366 167.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.533 32.3 Cg_exo 62.59 -132.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.844 0 CA-C-N 126.425 3.33 . . . . 0.0 112.374 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -97.53 62.2 1.68 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 166.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.264 15.4 m -103.69 96.42 6.7 Favored 'General case' 0 CA--C 1.583 2.245 1 N-CA-C 99.59 -4.226 . . . . 0.0 99.59 166.031 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -82.77 -99.73 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 CA-C-O 116.93 -1.509 . . . . 0.0 109.573 -167.752 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 67.6 m -131.3 -109.68 0.25 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 40.2 ptt85 -163.82 107.54 0.98 Allowed 'General case' 0 C--N 1.37 1.494 0 CA-C-N 123.78 2.991 . . . . 0.0 111.079 -171.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p 35.44 46.34 0.27 Allowed 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -153.55 -45.6 0.09 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 127.225 2.21 . . . . 0.0 108.65 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.275 4.7 tp10 -67.59 -47.68 69.03 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 127.931 2.492 . . . . 0.0 115.821 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.56 -50.17 70.76 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.94 1.7 . . . . 0.0 114.35 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 169.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -67.12 -52.53 40.65 Favored 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 124.972 1.309 . . . . 0.0 111.859 168.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.72 -49.12 69.62 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 116.02 -1.943 . . . . 0.0 115.869 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.67 -29.7 67.21 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 121.115 1.78 . . . . 0.0 115.37 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -68.99 -37.46 78.75 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 116.57 -1.681 . . . . 0.0 113.563 167.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.27 -53.59 18.98 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -143.26 121.0 11.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -168.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.13 93.94 3.16 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 177.95 49.18 Favored Glycine 0 N--CA 1.481 1.654 0 CA-C-O 123.658 1.699 . . . . 0.0 113.658 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 O-C-N 120.677 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.289 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -133.27 97.97 4.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 125.24 1.587 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.34 120.77 22.83 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -169.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -111.93 109.67 54.82 Favored Pre-proline 0 CA--C 1.594 2.646 0 N-CA-C 101.005 -3.702 . . . . 0.0 101.005 170.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 62.0 Cg_endo 52.09 -102.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.772 0 C-N-CA 124.431 3.421 . . . . 0.0 113.202 -170.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -121.17 66.62 0.87 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.116 167.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -98.34 94.5 6.78 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 167.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.84 -99.28 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 116.951 -1.499 . . . . 0.0 109.809 -167.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.0 m -133.54 -98.37 0.27 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 101.892 -3.373 . . . . 0.0 101.892 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.338 10.9 ptm180 -150.69 83.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 122.174 2.261 . . . . 0.0 109.89 -169.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.277 78.6 p 61.31 -38.6 0.11 Allowed 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.21 -31.49 67.39 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.68 -61.44 1.92 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.714 -1.612 . . . . 0.0 111.972 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.07 -50.9 8.28 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 121.427 1.921 . . . . 0.0 115.136 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -32.15 73.65 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.01 -54.74 18.75 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.144 1.377 . . . . 0.0 112.465 168.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.66 -46.43 89.77 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-O 115.771 -2.061 . . . . 0.0 115.278 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.49 -18.73 65.17 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 121.558 1.981 . . . . 0.0 116.257 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -72.32 -45.31 60.51 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.915 -1.517 . . . . 0.0 113.058 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.12 -54.41 11.16 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -140.71 119.38 12.42 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -167.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.32 -43.97 2.16 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.61 89.38 0.07 OUTLIER Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.876 1.216 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 120.868 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.52 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -150.27 60.41 0.97 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 125.575 1.797 . . . . 0.0 111.191 . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.34 113.09 8.02 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 118.8 -2.438 . . . . 0.0 109.761 -166.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.2 t -106.02 109.63 63.33 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 55.6 Cg_endo 54.53 -100.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.839 0 CA-C-N 126.518 3.363 . . . . 0.0 112.965 -169.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -125.17 61.71 1.19 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.986 0.914 . . . . 0.0 110.847 167.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.6 p -93.09 123.72 36.55 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 169.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.52 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 0.3 OUTLIER -124.67 -126.95 0.25 Allowed 'General case' 0 CA--C 1.59 2.482 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 -176.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.7 m -120.03 142.14 49.1 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -64.59 -62.16 1.76 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -164.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -124.36 68.11 1.07 Allowed 'General case' 0 N--CA 1.503 2.216 0 CA-C-N 121.58 1.991 . . . . 0.0 115.027 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.04 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 127.69 2.396 . . . . 0.0 109.906 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.265 13.2 tp10 -70.51 -52.41 22.08 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 127.431 2.292 . . . . 0.0 115.698 -169.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.63 -41.92 92.08 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 121.294 1.861 . . . . 0.0 114.363 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -23.15 67.29 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 166.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.272 86.1 tttt -68.48 -57.75 5.35 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 125.355 1.462 . . . . 0.0 111.307 168.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.66 -43.34 84.84 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 115.731 -2.08 . . . . 0.0 116.29 175.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.12 -34.48 22.24 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.82 -41.28 87.73 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 116.696 -1.621 . . . . 0.0 114.267 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.46 -51.28 24.64 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 120.437 1.471 . . . . 0.0 113.981 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -141.84 119.16 11.49 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.43 94.16 3.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.71 89.23 0.07 OUTLIER Glycine 0 N--CA 1.475 1.237 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.553 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.937 -1.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -132.35 96.57 3.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 125.239 1.587 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.48 126.55 31.23 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -169.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -123.83 103.38 34.1 Favored Pre-proline 0 CA--C 1.593 2.596 0 N-CA-C 100.55 -3.871 . . . . 0.0 100.55 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 32.3 Cg_exo 64.18 -105.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.794 0 CA-C-N 126.53 3.368 . . . . 0.0 110.472 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -122.54 63.66 0.96 Allowed 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.6 1.187 . . . . 0.0 109.754 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -98.29 91.46 5.24 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 13.6 m-85 -74.42 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 116.726 -1.607 . . . . 0.0 110.88 -166.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.273 15.1 t -138.68 -101.13 0.17 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 102.713 -3.069 . . . . 0.0 102.713 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.0 ptt85 -150.89 85.65 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.282 2.31 . . . . 0.0 109.702 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t 31.62 51.58 0.17 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -135.97 -30.54 0.96 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.798 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -79.84 -57.45 3.65 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 116.521 -1.704 . . . . 0.0 111.756 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -41.83 -49.12 4.44 Favored 'General case' 0 N--CA 1.506 2.338 0 CA-C-N 121.709 2.049 . . . . 0.0 115.36 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.39 -29.09 66.77 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 118.132 2.642 . . . . 0.0 118.132 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.69 -55.26 13.91 Favored 'General case' 0 CA--C 1.582 2.188 0 C-N-CA 124.879 1.272 . . . . 0.0 112.019 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.77 -47.8 71.05 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 115.684 -2.103 . . . . 0.0 114.941 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.71 -30.48 67.04 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 121.825 2.102 . . . . 0.0 115.307 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.35 -36.62 77.05 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.544 166.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.6 -52.73 23.41 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -132.91 -52.33 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -167.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.46 102.34 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.69 1.996 . . . . 0.0 114.063 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.26 89.57 0.08 OUTLIER Glycine 0 N--CA 1.473 1.162 0 O-C-N 124.529 1.143 . . . . 0.0 110.531 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 120.907 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.46 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -146.91 167.16 24.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 125.88 1.988 . . . . 0.0 109.404 . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.49 124.98 8.9 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 104.899 -2.259 . . . . 0.0 104.899 162.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.74 110.15 4.82 Favored Pre-proline 0 CA--C 1.591 2.524 0 CA-C-O 113.427 -3.178 . . . . 0.0 104.106 167.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.41 22.3 Cg_exo 45.59 52.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 0 CA-C-N 127.827 3.831 . . . . 0.0 117.692 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.29 62.8 p 52.94 49.03 21.1 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 126.094 1.758 . . . . 0.0 115.719 -165.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -93.51 112.17 24.01 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 170.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.46 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 49.3 m-85 -98.0 -112.29 0.16 Allowed 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 137.56 23.24 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.756 2.023 . . . . 0.0 106.052 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -34.14 93.44 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 -167.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p 41.3 56.94 3.03 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -141.51 -37.39 0.42 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.536 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.21 -53.29 17.69 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.159 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.13 -45.21 68.24 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 121.784 2.084 . . . . 0.0 114.624 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.73 64.37 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -54.76 15.76 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-N 120.179 1.354 . . . . 0.0 112.21 169.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.32 -45.47 76.35 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 115.543 -2.17 . . . . 0.0 115.302 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.94 -26.63 65.17 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 121.987 2.176 . . . . 0.0 116.218 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -38.06 71.91 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.607 1.548 . . . . 0.0 114.965 166.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.56 -54.86 12.05 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -141.76 106.38 4.87 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 -168.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -43.98 26.0 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.33 -177.25 48.66 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 123.704 1.725 . . . . 0.0 113.417 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.718 0 O-C-N 120.531 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.69 164.01 34.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.018 2.073 . . . . 0.0 109.151 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.75 126.59 11.11 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 163.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -135.93 90.07 19.65 Favored Pre-proline 0 CA--C 1.593 2.62 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 166.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.428 57.1 Cg_endo 44.61 63.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 C-N-CA 124.893 3.728 . . . . 0.0 116.588 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.292 59.3 p 59.27 16.37 4.93 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -166.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -86.41 135.05 33.64 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 113.692 -1.595 . . . . 0.0 107.394 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -124.27 -127.96 0.25 Allowed 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -139.03 124.28 19.12 Favored 'General case' 0 N--CA 1.473 0.708 1 N-CA-C 99.54 -4.244 . . . . 0.0 99.54 166.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.469 20.1 ptt-85 -22.14 -50.15 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.108 1 N-CA-C 124.891 5.145 . . . . 0.0 124.891 -160.894 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -131.16 -42.59 1.08 Allowed 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -172.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.96 -31.66 73.01 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.04 -63.7 1.09 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.801 -169.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.26 6.9 tt -52.0 -43.26 63.56 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 121.272 1.851 . . . . 0.0 114.883 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.3 69.35 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.842 2.534 . . . . 0.0 117.842 167.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.98 -54.09 17.13 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 124.751 1.22 . . . . 0.0 111.931 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.13 -40.63 78.16 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 114.742 -2.552 . . . . 0.0 116.006 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.22 -38.39 87.83 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-N 123.205 2.73 . . . . 0.0 115.813 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.26 42.7 ptt85 -62.78 -40.42 97.26 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 167.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.81 -53.58 31.37 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.31 106.86 4.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 -44.35 24.75 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 87.39 1.33 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 119.79 1.177 . . . . 0.0 111.091 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 120.847 -1.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.462 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -145.21 167.3 23.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 125.973 2.046 . . . . 0.0 109.794 . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.31 125.66 9.41 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 162.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 t -137.59 106.91 8.39 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 166.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 38.5 Cg_exo 61.18 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.874 0 CA-C-N 127.566 3.738 . . . . 0.0 111.266 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -119.98 62.14 0.84 Allowed 'General case' 0 CA--C 1.569 1.673 0 O-C-N 124.568 1.167 . . . . 0.0 110.416 166.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -96.58 114.13 25.75 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 105.064 -2.199 . . . . 0.0 105.064 168.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.462 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.3 m-85 -95.48 -113.82 0.12 Allowed 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -169.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -150.74 116.57 5.53 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 23.74 67.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 120.482 3.512 . . . . 0.0 120.482 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 7.9 t 64.18 -40.75 0.24 Allowed 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -48.32 -24.25 1.15 Allowed 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 119.944 3.312 . . . . 0.0 119.944 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -87.1 -64.79 1.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.084 -2.389 . . . . 0.0 111.314 -168.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.7 -32.19 65.23 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 123.229 2.74 . . . . 0.0 116.053 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.84 68.21 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 166.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 86.3 tttt -72.05 -60.07 2.42 Favored 'General case' 0 CA--C 1.583 2.213 0 C-N-CA 125.605 1.562 . . . . 0.0 110.647 167.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -53.04 -40.94 64.31 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.99 -34.97 79.21 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 121.193 1.815 . . . . 0.0 115.718 171.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -60.23 -43.25 96.2 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.25 -54.13 10.48 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 169.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -141.27 120.59 13.07 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -167.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.24 -44.48 2.15 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.05 87.16 1.33 Allowed Glycine 0 C--N 1.357 1.724 0 CA-C-N 119.936 1.243 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 120.898 -1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -82.78 -161.67 0.51 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 125.989 2.056 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.28 133.62 15.37 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.29 1.859 . . . . 0.0 106.653 168.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -124.06 105.29 31.89 Favored Pre-proline 0 CA--C 1.591 2.55 0 N-CA-C 102.059 -3.311 . . . . 0.0 102.059 167.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.5 Cg_exo 64.01 -103.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.886 0 CA-C-N 126.92 3.507 . . . . 0.0 110.218 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -124.2 63.19 1.09 Allowed 'General case' 0 CA--C 1.568 1.669 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.79 166.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -92.35 112.74 24.8 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 169.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.271 13.5 m-85 -100.45 -104.7 0.24 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 -175.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -142.27 124.67 15.65 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 121.575 1.988 . . . . 0.0 106.585 168.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -21.01 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -168.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 14.5 m 66.42 -36.32 0.25 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -46.49 -31.66 2.86 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 119.445 3.128 . . . . 0.0 119.445 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -87.59 -47.88 8.35 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 115.411 -2.233 . . . . 0.0 113.748 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.28 -34.65 78.84 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 122.32 2.327 . . . . 0.0 115.138 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.78 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 116.615 2.079 . . . . 0.0 116.615 167.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -65.26 -43.13 92.29 Favored 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 125.897 1.679 . . . . 0.0 113.376 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.91 -41.57 59.46 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 115.56 -2.162 . . . . 0.0 115.056 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.61 -36.61 81.23 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 121.891 2.132 . . . . 0.0 116.351 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.03 -36.12 81.41 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 116.607 -1.663 . . . . 0.0 114.419 167.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.43 -53.64 27.34 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -142.87 107.55 4.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 104.211 -2.515 . . . . 0.0 104.211 -168.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.74 29.94 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -179.94 47.74 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 123.724 1.736 . . . . 0.0 113.68 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.64 0 O-C-N 120.695 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.4 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -148.28 163.54 36.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 125.858 1.974 . . . . 0.0 110.092 . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.87 127.72 9.57 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 164.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.05 105.67 5.69 Favored Pre-proline 0 CA--C 1.592 2.572 0 N-CA-C 102.815 -3.031 . . . . 0.0 102.815 166.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.523 34.2 Cg_exo 61.7 -110.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.932 0 CA-C-N 127.386 3.674 . . . . 0.0 111.312 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -115.27 58.07 0.72 Allowed 'General case' 0 CA--C 1.571 1.754 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 166.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -98.31 120.54 38.9 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 168.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.4 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 76.8 m-85 -102.1 -124.74 0.19 Allowed 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -168.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 75.3 m -130.33 -110.83 0.26 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.341 14.7 ptp180 -139.66 78.49 1.67 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 122.788 2.54 . . . . 0.0 109.837 -169.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m 19.38 50.49 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.109 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -170.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -112.78 -35.96 5.31 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.166 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.251 12.1 pt-20 -81.51 -64.32 1.21 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 126.163 1.785 . . . . 0.0 113.018 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.44 -45.66 56.02 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.57 68.97 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 168.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.92 -51.56 25.29 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.747 168.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.92 -45.19 93.36 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 115.455 -2.212 . . . . 0.0 116.497 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.12 -37.51 85.89 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 122.194 2.27 . . . . 0.0 116.186 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -65.55 -36.77 84.78 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 116.695 -1.622 . . . . 0.0 114.623 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.68 -54.55 15.6 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 120.415 1.462 . . . . 0.0 114.865 169.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -143.65 107.94 4.78 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -168.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.11 -43.4 21.76 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.18 89.26 1.39 Allowed Glycine 0 C--N 1.357 1.743 0 CA-C-N 119.753 1.161 . . . . 0.0 110.744 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 120.964 -1.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -149.08 161.63 41.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 126.134 2.146 . . . . 0.0 108.882 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.68 125.78 9.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 164.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t -137.97 105.87 8.1 Favored Pre-proline 0 CA--C 1.59 2.519 0 N-CA-C 102.524 -3.139 . . . . 0.0 102.524 166.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 31.4 Cg_exo 63.15 -109.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.928 0 CA-C-N 126.989 3.532 . . . . 0.0 110.854 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p -116.63 57.4 0.78 Allowed 'General case' 0 CA--C 1.57 1.733 0 O-C-N 124.575 1.172 . . . . 0.0 110.709 166.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 m -93.6 137.35 32.96 Favored 'General case' 0 CA--C 1.583 2.245 0 CA-C-N 110.611 -2.995 . . . . 0.0 104.754 167.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -122.22 -119.59 0.29 Allowed 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.043 -168.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -115.54 -78.52 0.58 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 115.919 -1.991 . . . . 0.0 107.0 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.467 20.7 ptt-85 -151.0 -71.73 0.17 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.045 2.657 . . . . 0.0 112.418 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -136.95 -30.7 0.86 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.8 -26.61 47.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 170.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -80.22 -64.12 1.26 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 115.813 -2.042 . . . . 0.0 112.008 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -37.78 71.94 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.458 2.39 . . . . 0.0 115.659 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.48 69.87 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 166.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.8 -57.3 5.26 Favored 'General case' 0 CA--C 1.582 2.21 0 C-N-CA 125.037 1.335 . . . . 0.0 111.01 167.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.53 -36.76 84.86 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 115.258 -2.306 . . . . 0.0 116.718 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.19 -36.38 75.25 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.366 2.348 . . . . 0.0 117.182 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -64.47 -39.35 93.65 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.909 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.22 -53.45 19.86 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -143.43 119.67 10.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -167.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.65 -43.93 2.25 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.96 88.45 1.42 Allowed Glycine 0 C--N 1.357 1.702 0 CA-C-N 119.9 1.227 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 120.935 -1.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.415 ' H1 ' ' O ' ' A' ' 9' ' ' SER . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 1.3 t80 -160.83 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.509 2.516 1 O-C-N 116.145 -4.097 . . . . 0.0 114.468 . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 p 25.92 118.09 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -167.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -140.81 106.54 6.34 Favored Pre-proline 0 CA--C 1.595 2.707 0 N-CA-C 100.947 -3.723 . . . . 0.0 100.947 166.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 31.5 Cg_exo 64.5 -119.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.897 0 CA-C-N 126.791 3.461 . . . . 0.0 111.342 -176.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -111.68 63.96 0.62 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.625 1.203 . . . . 0.0 110.432 167.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -102.28 101.06 11.3 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 167.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.407 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 80.4 m-85 -82.72 -109.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 116.941 -1.504 . . . . 0.0 109.38 -167.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' H1 ' ' A' ' 0' ' ' ACE 0.25 48.7 m -131.75 -101.95 0.28 Allowed 'General case' 0 C--N 1.359 0.994 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 174.308 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.327 36.0 ptt180 -152.28 88.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.973 2.624 . . . . 0.0 110.128 -168.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.13 50.69 0.25 Allowed 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 119.208 3.04 . . . . 0.0 119.208 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -138.04 -42.57 0.52 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.583 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.3 -39.02 93.07 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 115.735 -2.079 . . . . 0.0 116.135 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.81 -48.74 75.62 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 121.849 2.113 . . . . 0.0 113.842 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.01 -32.13 72.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -66.65 -52.68 42.26 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 124.729 1.211 . . . . 0.0 111.841 167.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.57 -41.3 76.02 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 115.207 -2.33 . . . . 0.0 116.103 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.13 -37.26 86.8 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-N 122.269 2.304 . . . . 0.0 116.186 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.96 -36.64 83.89 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.643 -1.646 . . . . 0.0 114.549 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.72 -53.88 23.88 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.6 107.75 4.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.4 -44.19 25.52 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.55 179.31 51.4 Favored Glycine 0 N--CA 1.481 1.7 0 CA-C-O 123.563 1.646 . . . . 0.0 113.974 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.654 0 O-C-N 120.672 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -152.35 162.08 41.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 126.221 2.2 . . . . 0.0 108.367 . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.85 125.8 9.13 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 164.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -139.98 107.24 6.86 Favored Pre-proline 0 CA--C 1.591 2.551 0 N-CA-C 102.287 -3.227 . . . . 0.0 102.287 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 38.0 Cg_exo 61.54 -112.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.937 0 CA-C-N 127.308 3.646 . . . . 0.0 111.202 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -114.65 60.82 0.68 Allowed 'General case' 0 CA--C 1.569 1.698 0 O-C-N 124.612 1.195 . . . . 0.0 110.351 166.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -95.69 123.57 39.32 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 167.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' H ' ' CB ' ' A' ' 1' ' ' TYR . 92.1 m-85 -106.79 -127.82 0.26 Allowed 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 125.029 1.331 . . . . 0.0 108.449 -166.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 t -102.08 -83.73 0.46 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.46 25.5 ptt180 -149.96 -70.25 0.19 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 122.965 2.62 . . . . 0.0 112.735 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -134.91 -27.55 1.26 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.28 -40.45 81.93 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 170.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.63 -47.48 59.84 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 115.672 -2.109 . . . . 0.0 115.56 -169.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.26 -44.17 88.96 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 122.733 2.515 . . . . 0.0 114.047 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.18 70.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 117.803 2.519 . . . . 0.0 117.803 167.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -71.06 -62.33 1.44 Allowed 'General case' 0 CA--C 1.576 1.955 0 C-N-CA 125.18 1.392 . . . . 0.0 110.89 167.727 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.26 -22.54 66.32 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.907 -2.949 . . . . 0.0 117.446 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.32 -39.73 95.36 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 124.406 3.275 . . . . 0.0 116.931 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.14 -40.58 96.46 Favored 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 117.031 -1.461 . . . . 0.0 114.865 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -67.43 -52.58 37.94 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.89 107.45 4.82 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 -168.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.98 40.03 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.6 -89.37 0.08 OUTLIER Glycine 0 C--N 1.354 1.529 0 CA-C-N 119.743 1.156 . . . . 0.0 110.52 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 120.96 -1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -133.43 91.52 2.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 125.189 1.555 . . . . 0.0 108.248 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.7 112.89 12.54 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -171.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -110.04 101.96 49.19 Favored Pre-proline 0 CA--C 1.593 2.616 0 N-CA-C 100.271 -3.974 . . . . 0.0 100.271 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.527 46.3 Cg_exo 66.17 -107.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.744 0 CA-C-N 126.204 3.252 . . . . 0.0 110.143 -171.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -123.71 64.79 1.03 Allowed 'General case' 0 CA--C 1.567 1.632 0 O-C-N 124.471 1.107 . . . . 0.0 109.662 166.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 97.25 7.85 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 169.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 0.3 OUTLIER -90.71 -120.98 0.07 Allowed 'General case' 0 CA--C 1.585 2.316 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -168.038 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -132.89 121.65 23.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 102.938 -2.986 . . . . 0.0 102.938 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -39.65 -51.06 2.3 Favored 'General case' 0 CA--C 1.562 1.409 1 N-CA-C 123.014 4.45 . . . . 0.0 123.014 -163.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -106.75 -48.02 3.61 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 119.043 2.979 . . . . 0.0 119.043 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.51 -15.39 63.64 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -117.03 148.21 41.68 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.121 1.368 . . . . 0.0 108.309 -171.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.379 5.9 tp 61.33 -30.47 0.07 Allowed 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 -167.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.82 88.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.338 1.426 . . . . 0.0 114.723 164.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.37 -45.55 72.48 Favored 'General case' 0 CA--C 1.574 1.886 0 C-N-CA 125.523 1.529 . . . . 0.0 112.597 169.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.22 -43.64 86.08 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.707 -2.092 . . . . 0.0 115.605 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.81 -37.15 83.35 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-N 121.69 2.041 . . . . 0.0 116.276 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.2 -36.72 83.8 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.447 168.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.22 -53.72 27.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.76 4.99 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 -168.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 -43.84 28.98 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 89.29 0.07 OUTLIER Glycine 0 C--N 1.354 1.565 0 CA-C-N 119.723 1.147 . . . . 0.0 110.538 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 120.956 -1.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -138.72 -56.73 0.62 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 33.37 111.54 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.977 2.911 . . . . 0.0 115.141 -165.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 t -117.31 105.45 48.64 Favored Pre-proline 0 CA--C 1.593 2.63 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 32.4 Cg_exo 62.38 -100.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.791 0 CA-C-N 126.981 3.529 . . . . 0.0 110.526 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -126.03 60.75 1.28 Allowed 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.55 166.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -85.63 129.65 34.77 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.703 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -118.03 -123.86 0.29 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 -168.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.8 m -152.71 114.62 4.36 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 14.96 64.3 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 120.4 3.481 . . . . 0.0 120.4 169.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t 30.29 43.96 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 121.704 3.965 . . . . 0.0 121.704 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -105.4 -38.42 6.49 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.237 164.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.06 -57.76 3.75 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.078 -1.915 . . . . 0.0 115.12 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.42 -40.85 75.41 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.499 2.409 . . . . 0.0 115.742 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -27.19 68.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -72.91 -52.19 15.66 Favored 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 117.265 -1.35 . . . . 0.0 111.254 167.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.92 -42.45 99.11 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 115.512 -2.185 . . . . 0.0 116.858 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.05 -42.92 86.43 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 122.113 2.233 . . . . 0.0 115.946 -175.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.256 34.4 ptt180 -65.44 -39.89 92.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 167.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.72 -49.0 76.8 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.312 54.9 m-70 -123.57 -116.04 0.3 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 116.633 -1.651 . . . . 0.0 106.554 -167.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 51.93 98.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 121.967 2.167 . . . . 0.0 114.638 -172.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.17 -179.12 50.86 Favored Glycine 0 N--CA 1.481 1.691 0 CA-C-O 123.551 1.639 . . . . 0.0 114.045 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.645 0 O-C-N 120.623 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.15 162.19 41.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 126.196 2.185 . . . . 0.0 108.383 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.95 125.72 9.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -138.57 107.04 7.71 Favored Pre-proline 0 CA--C 1.59 2.506 0 N-CA-C 102.446 -3.168 . . . . 0.0 102.446 166.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 35.3 Cg_exo 61.83 -110.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.966 0 CA-C-N 127.332 3.654 . . . . 0.0 111.187 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -117.56 61.34 0.75 Allowed 'General case' 0 CA--C 1.568 1.652 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 166.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -94.99 124.06 38.82 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -106.54 -122.63 0.23 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 124.853 1.261 . . . . 0.0 108.354 -167.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -108.97 -81.35 0.57 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 115.679 -2.105 . . . . 0.0 105.938 172.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.465 7.0 ptm180 -150.3 -71.15 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 123.318 2.781 . . . . 0.0 113.098 -177.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.1 p -135.6 -29.54 1.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.77 -34.83 73.51 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.24 -60.32 2.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 115.86 -2.019 . . . . 0.0 113.945 -169.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.79 -41.1 85.9 Favored 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 122.289 2.313 . . . . 0.0 114.978 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.66 -29.01 70.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 167.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -70.45 -56.99 5.29 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 124.929 1.291 . . . . 0.0 111.396 167.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.97 -28.32 65.44 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 114.567 -2.635 . . . . 0.0 116.398 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.1 -38.81 87.63 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 123.452 2.842 . . . . 0.0 116.971 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -39.57 94.16 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.945 -1.503 . . . . 0.0 114.865 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -66.89 -53.2 34.54 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 169.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -141.92 107.33 5.03 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 104.173 -2.528 . . . . 0.0 104.173 -168.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 -43.75 28.98 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.7 89.32 0.08 OUTLIER Glycine 0 C--N 1.353 1.477 0 CA-C-N 119.739 1.154 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 120.906 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.07 162.81 38.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 126.102 2.126 . . . . 0.0 108.574 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.2 124.51 8.85 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 163.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.76 106.21 10.69 Favored Pre-proline 0 CA--C 1.59 2.514 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 166.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 31.3 Cg_exo 62.93 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.923 0 CA-C-N 127.109 3.575 . . . . 0.0 110.743 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -119.45 60.79 0.83 Allowed 'General case' 0 CA--C 1.568 1.652 0 O-C-N 124.693 1.246 . . . . 0.0 110.189 166.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -89.58 135.85 33.37 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 167.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -126.45 -130.85 0.24 Allowed 'General case' 0 CA--C 1.583 2.222 0 C-N-CA 124.854 1.262 . . . . 0.0 108.101 -166.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m -102.35 -102.28 0.28 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 102.134 -3.284 . . . . 0.0 102.134 168.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.407 10.8 ptm180 -153.34 -58.93 0.13 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 125.385 3.72 . . . . 0.0 117.147 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -124.75 -41.64 2.11 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.74 -37.39 84.56 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.259 16.7 tp10 -71.18 -51.45 24.76 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -167.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.5 -46.82 88.72 Favored 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 122.058 2.208 . . . . 0.0 114.351 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -22.13 66.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 50.6 tttp -67.04 -54.29 23.01 Favored 'General case' 0 CA--C 1.577 2.018 0 C-N-CA 125.239 1.415 . . . . 0.0 112.087 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.38 -46.5 83.06 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 115.786 -2.054 . . . . 0.0 116.03 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.52 -36.04 76.05 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.731 2.059 . . . . 0.0 114.788 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.95 -37.4 87.52 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.866 -1.54 . . . . 0.0 114.48 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.04 -51.69 44.03 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -141.08 107.54 5.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 -168.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.93 22.43 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.97 87.19 1.32 Allowed Glycine 0 C--N 1.356 1.689 0 CA-C-N 119.788 1.177 . . . . 0.0 111.049 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.835 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.237 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 171.4 13.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 125.858 1.974 . . . . 0.0 109.752 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.22 124.78 9.67 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 161.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.5 105.21 13.18 Favored Pre-proline 0 CA--C 1.591 2.546 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 167.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.513 31.6 Cg_exo 63.07 -101.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.944 0 CA-C-N 127.191 3.604 . . . . 0.0 110.618 -176.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -127.63 62.96 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.71 165.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -90.87 127.74 36.48 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-N 113.607 -1.633 . . . . 0.0 107.992 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.26 -130.05 0.21 Allowed 'General case' 0 CA--C 1.591 2.541 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 32.1 t -119.24 148.97 42.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.558 2.343 . . . . 0.0 105.022 167.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -59.3 -53.98 52.0 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 119.364 3.098 . . . . 0.0 119.364 -164.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -122.89 -44.09 2.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.24 -13.58 62.11 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 173.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' HG2' ' H ' ' A' ' 9' ' ' SER 0.32 4.1 tp10 -103.55 -73.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.71 -2.09 . . . . 0.0 111.797 -167.248 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -57.99 -31.55 67.03 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 122.879 2.581 . . . . 0.0 115.348 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.51 69.95 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 165.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -47.56 58.97 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.22 1.408 . . . . 0.0 113.03 168.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.15 -46.39 81.1 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 115.949 -1.977 . . . . 0.0 115.377 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.36 -37.06 81.98 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -66.39 -36.66 83.41 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 116.669 -1.634 . . . . 0.0 114.424 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.2 -53.69 27.99 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.82 5.01 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -43.86 28.55 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.13 89.33 0.07 OUTLIER Glycine 0 C--N 1.354 1.57 0 CA-C-N 119.686 1.13 . . . . 0.0 110.586 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.533 0 O-C-N 121.025 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.449 ' H1 ' ' O ' ' A' ' 9' ' ' SER . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.429 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 1.3 t80 -157.88 -63.3 0.09 Allowed 'General case' 0 N--CA 1.506 2.362 1 O-C-N 116.285 -4.009 . . . . 0.0 113.164 . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.35 123.67 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 129.405 3.082 . . . . 0.0 116.079 -166.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -151.25 113.14 3.05 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 102.847 -3.02 . . . . 0.0 102.847 168.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.408 25.0 Cg_exo 48.13 50.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 CA-C-N 127.43 3.689 . . . . 0.0 117.491 173.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.285 69.9 p 51.44 52.21 15.21 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 126.024 1.73 . . . . 0.0 115.611 -165.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m -98.23 104.52 16.56 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 169.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 99.5 m-85 -86.79 -118.58 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 117.389 -1.291 . . . . 0.0 108.159 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' H1 ' ' A' ' 0' ' ' ACE . 11.3 t -110.15 -93.4 0.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 101.77 -3.418 . . . . 0.0 101.77 169.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.443 14.2 ptp180 -143.36 -65.85 0.38 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 122.809 2.55 . . . . 0.0 113.688 -171.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 t -136.57 -30.29 0.92 Allowed 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.43 -37.69 75.92 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.392 2.368 . . . . 0.0 117.392 171.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -71.96 -49.88 33.61 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 115.64 -2.124 . . . . 0.0 115.151 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.21 -42.9 99.36 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 121.994 2.179 . . . . 0.0 114.486 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.11 77.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 168.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -66.45 -49.31 67.11 Favored 'General case' 0 CA--C 1.582 2.194 0 C-N-CA 124.949 1.299 . . . . 0.0 111.99 166.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.15 -39.18 63.45 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 115.118 -2.373 . . . . 0.0 115.585 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.98 -31.11 70.71 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 122.396 2.362 . . . . 0.0 116.917 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -66.13 -42.44 89.13 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 116.653 -1.641 . . . . 0.0 114.327 169.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.51 -52.08 17.26 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.579 1.536 . . . . 0.0 113.854 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -141.28 119.61 12.22 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.61 94.29 3.07 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.22 89.4 0.08 OUTLIER Glycine 0 N--CA 1.474 1.2 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 120.992 -1.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.94 97.79 4.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.197 1.561 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 126.47 31.08 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -169.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -136.47 110.18 9.62 Favored Pre-proline 0 CA--C 1.594 2.668 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.417 24.7 Cg_exo 49.36 46.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.675 0 CA-C-N 127.067 3.56 . . . . 0.0 117.616 175.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.313 34.6 t 56.53 54.86 7.0 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 125.848 1.659 . . . . 0.0 114.518 -165.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -97.74 91.49 5.41 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 167.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.276 7.2 m-85 -76.3 -96.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.902 -165.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 19.1 t -136.08 -95.93 0.24 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 172.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.512 28.0 ptt180 -136.76 -88.16 0.3 Allowed 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 122.273 2.306 . . . . 0.0 109.243 -169.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -140.28 77.91 1.63 Allowed 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 121.61 2.005 . . . . 0.0 110.011 169.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -158.77 -33.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 127.029 2.131 . . . . 0.0 111.629 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.4 -62.97 1.47 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 115.969 -1.967 . . . . 0.0 111.681 -168.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -46.44 -42.05 14.75 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 122.396 2.362 . . . . 0.0 116.019 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.95 73.67 Favored 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 168.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.61 -58.18 5.14 Favored 'General case' 0 CA--C 1.585 2.305 0 C-N-CA 125.532 1.533 . . . . 0.0 111.532 167.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -37.78 88.79 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 114.704 -2.57 . . . . 0.0 116.232 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.13 -29.97 67.79 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-N 123.073 2.67 . . . . 0.0 117.42 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -66.9 -43.12 84.21 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 116.854 -1.546 . . . . 0.0 114.316 169.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -54.72 12.63 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -139.4 107.29 5.67 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -167.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.31 -45.61 11.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -87.98 1.35 Allowed Glycine 0 C--N 1.357 1.736 0 CA-C-N 119.801 1.182 . . . . 0.0 110.948 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 120.918 -1.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.48 ' H1 ' ' HB ' ' A' ' 7' ' ' THR . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -139.28 91.87 2.54 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.28 116.0 15.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.04 -1.038 . . . . 0.0 108.44 -168.462 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.6 t -107.85 103.47 49.75 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 100.673 -3.825 . . . . 0.0 100.673 173.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.526 48.2 Cg_exo 66.5 -106.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.79 0 CA-C-N 126.26 3.271 . . . . 0.0 110.073 -171.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -125.08 66.53 1.12 Allowed 'General case' 0 CA--C 1.567 1.604 0 O-C-N 124.567 1.167 . . . . 0.0 109.194 166.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.48 ' HB ' ' H1 ' ' A' ' 0' ' ' ACE . 19.6 p -99.66 105.27 17.08 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 102.049 -3.315 . . . . 0.0 102.049 167.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.86 -126.02 0.12 Allowed 'General case' 0 CA--C 1.586 2.346 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -169.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -118.71 123.67 45.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 166.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.272 43.7 mtm180 -48.67 -61.45 2.02 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -161.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p -122.31 68.23 0.94 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.118 1.781 . . . . 0.0 114.521 -171.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -172.53 -41.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 127.124 2.17 . . . . 0.0 110.875 169.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.269 5.3 tp10 -70.09 -62.09 1.52 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.165 2.186 . . . . 0.0 115.966 -167.354 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.68 -35.36 79.95 Favored 'General case' 0 N--CA 1.504 2.249 0 CA-C-N 121.587 1.994 . . . . 0.0 114.611 176.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -28.63 70.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 165.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -70.34 -51.29 31.15 Favored 'General case' 0 CA--C 1.581 2.158 0 C-N-CA 124.994 1.318 . . . . 0.0 111.202 165.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.95 -43.05 93.97 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.02 -34.73 70.37 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.06 -38.17 87.65 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 116.762 -1.59 . . . . 0.0 114.526 168.228 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.68 -54.21 14.95 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 169.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -144.03 118.62 9.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -168.058 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.48 93.53 3.07 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 -88.33 1.35 Allowed Glycine 0 N--CA 1.479 1.555 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.056 -178.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 O-C-N 121.025 -1.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -137.7 -57.06 0.68 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.21 115.09 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 129.398 3.079 . . . . 0.0 114.926 -164.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.71 105.78 20.85 Favored Pre-proline 0 CA--C 1.594 2.652 0 N-CA-C 100.983 -3.71 . . . . 0.0 100.983 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 31.2 Cg_exo 62.06 -102.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.836 0 CA-C-N 127.153 3.59 . . . . 0.0 110.668 -174.484 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -124.79 62.64 1.14 Allowed 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.23 166.321 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 p -94.32 116.1 28.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 170.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.04 -115.55 0.25 Allowed 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.342 68.5 m -112.53 -120.91 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 168.089 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.34 57.7 mtp85 -131.55 -113.05 0.24 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 115.363 -2.256 . . . . 0.0 107.307 -164.579 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -84.58 -28.77 26.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 118.129 2.64 . . . . 0.0 118.129 -175.634 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.95 -39.45 92.15 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 169.554 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.09 155.38 30.6 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.814 1.245 . . . . 0.0 110.764 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.386 0.6 OUTLIER 75.37 -47.28 0.6 Allowed 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 -169.168 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.66 73.73 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 164.445 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -69.5 -55.19 10.92 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 125.385 1.474 . . . . 0.0 110.575 165.223 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.89 -38.38 82.94 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 115.171 -2.347 . . . . 0.0 117.146 -177.061 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.92 -35.73 82.08 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 122.415 2.371 . . . . 0.0 115.805 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -63.83 -39.49 94.34 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.92 -1.514 . . . . 0.0 114.67 168.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.1 -54.57 14.32 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -141.6 105.84 4.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 -168.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.2 -44.16 26.51 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -176.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.14 87.65 1.33 Allowed Glycine 0 C--N 1.356 1.687 0 CA-C-N 119.836 1.198 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 120.999 -1.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CB ' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -131.65 171.54 13.34 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 125.829 1.956 . . . . 0.0 109.178 . . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.54 125.39 9.8 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 162.648 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.1 105.35 9.54 Favored Pre-proline 0 CA--C 1.591 2.539 0 N-CA-C 102.375 -3.194 . . . . 0.0 102.375 166.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 34.1 Cg_exo 62.29 -106.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.91 0 CA-C-N 127.329 3.653 . . . . 0.0 110.808 -176.549 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -121.29 60.87 0.92 Allowed 'General case' 0 CA--C 1.57 1.735 0 O-C-N 124.626 1.204 . . . . 0.0 110.231 165.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -92.59 126.27 37.6 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.358 169.012 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.409 ' H ' ' CB ' ' A' ' 1' ' ' TYR . 2.2 m-85 -126.48 -131.04 0.24 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -173.114 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 73.5 m -113.8 143.76 44.12 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.713 2.405 . . . . 0.0 105.372 168.483 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -52.2 -53.71 40.0 Favored 'General case' 0 CA--C 1.561 1.377 1 N-CA-C 122.178 4.14 . . . . 0.0 122.178 -164.748 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -122.43 -48.16 2.08 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -168.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.57 -33.66 75.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 9' ' ' SER 0.266 4.8 tp10 -70.98 -59.94 2.51 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.943 -1.979 . . . . 0.0 115.354 -168.203 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.63 -39.74 92.37 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 122.125 2.239 . . . . 0.0 114.855 177.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.08 -29.32 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 166.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -69.31 -53.51 19.3 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 125.092 1.357 . . . . 0.0 111.587 166.758 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.0 -40.96 97.41 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.53 -38.98 89.4 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 178.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.263 34.4 ptt180 -62.78 -40.86 98.6 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 167.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.91 -52.53 49.16 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.478 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -141.95 107.09 4.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -168.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -44.38 23.79 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -177.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.07 87.39 1.32 Allowed Glycine 0 C--N 1.356 1.678 0 CA-C-N 119.873 1.215 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 120.902 -1.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.492 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -152.03 163.15 39.92 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 126.326 2.266 . . . . 0.0 107.042 . . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.69 125.56 9.79 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 164.767 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -149.71 107.25 3.28 Favored Pre-proline 0 CA--C 1.593 2.626 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 167.155 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.535 29.5 Cg_exo 60.32 -125.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.885 0 CA-C-N 127.044 3.552 . . . . 0.0 112.082 178.406 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p -101.05 63.09 0.99 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.726 1.266 . . . . 0.0 110.032 166.415 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -102.7 104.24 14.56 Favored 'General case' 0 CA--C 1.574 1.873 1 N-CA-C 100.112 -4.033 . . . . 0.0 100.112 167.272 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.492 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.3 m-85 -85.68 -127.16 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.78 1.632 . . . . 0.0 109.087 -166.8 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -111.28 -95.48 0.43 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 101.6 -3.482 . . . . 0.0 101.6 169.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.451 14.5 ptp180 -141.74 -68.14 0.38 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 123.897 3.044 . . . . 0.0 114.019 -169.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -136.23 -28.21 1.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 177.227 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.45 -39.14 82.65 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 169.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.4 -58.67 3.7 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 116.437 -1.745 . . . . 0.0 114.802 -169.067 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -53.28 -43.12 67.24 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 121.594 1.997 . . . . 0.0 114.942 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.93 64.91 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 169.099 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -66.66 -54.85 18.79 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 120.307 1.412 . . . . 0.0 112.284 168.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.55 -44.67 81.71 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 115.749 -2.072 . . . . 0.0 115.359 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.93 -29.9 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.676 2.035 . . . . 0.0 115.308 174.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.86 -38.12 76.32 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.705 167.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.77 -54.04 18.31 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -142.08 107.11 4.93 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -168.646 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.51 24.74 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.509 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.13 -87.29 1.33 Allowed Glycine 0 C--N 1.357 1.712 0 CA-C-N 119.859 1.209 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 120.906 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.487 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -150.78 165.05 34.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 126.059 2.099 . . . . 0.0 109.139 . . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.0 125.7 8.98 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 163.343 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -139.34 107.9 7.3 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 166.068 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 38.1 Cg_exo 60.79 -109.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 CA-C-N 127.464 3.702 . . . . 0.0 111.446 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -117.51 63.16 0.74 Allowed 'General case' 0 CA--C 1.569 1.697 0 O-C-N 124.649 1.218 . . . . 0.0 110.121 166.388 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -98.24 112.33 24.35 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 104.095 -2.558 . . . . 0.0 104.095 168.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.487 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 97.0 m-85 -93.44 -117.2 0.09 Allowed 'General case' 0 CA--C 1.572 1.808 0 C-N-CA 125.176 1.391 . . . . 0.0 108.513 -167.578 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 57.4 m -130.16 -102.07 0.3 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.33 23.2 ptt-85 -149.53 87.18 1.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 123.34 2.791 . . . . 0.0 110.496 -168.28 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m 33.12 50.73 0.25 Allowed 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -177.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.75 -33.01 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.166 171.354 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -75.82 -59.3 2.81 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.36 -169.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -50.58 -43.01 56.31 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 122.313 2.324 . . . . 0.0 115.518 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -30.86 69.81 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 168.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.39 -54.24 18.53 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.711 1.204 . . . . 0.0 112.29 168.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.22 -40.02 90.03 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 114.945 -2.455 . . . . 0.0 116.113 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.74 -37.8 88.71 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 122.797 2.544 . . . . 0.0 116.468 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.43 -37.51 87.14 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 116.81 -1.567 . . . . 0.0 114.686 168.879 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.39 -53.95 24.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 169.455 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.42 107.51 4.95 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 -168.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.91 -44.03 28.25 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -177.641 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.43 -89.4 0.07 OUTLIER Glycine 0 C--N 1.353 1.524 0 CA-C-N 119.658 1.117 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 O-C-N 120.98 -1.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.03 76.74 1.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 125.548 1.78 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -73.53 125.93 29.09 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.281 -0.887 . . . . 0.0 112.318 -168.396 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 37.4 t -149.88 106.43 3.23 Favored Pre-proline 0 CA--C 1.596 2.743 0 N-CA-C 101.016 -3.698 . . . . 0.0 101.016 167.745 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 33.4 Cg_exo 62.25 -136.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.792 0 CA-C-N 126.606 3.395 . . . . 0.0 112.889 -178.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -91.32 59.45 3.91 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 124.282 0.988 . . . . 0.0 110.871 166.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.2 m -102.45 91.56 4.3 Favored 'General case' 0 CA--C 1.579 2.086 1 N-CA-C 100.12 -4.03 . . . . 0.0 100.12 165.658 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.266 4.0 m-85 -77.8 -100.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.981 -166.756 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.261 8.1 t -141.1 -100.87 0.14 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.2 ptt85 -151.95 87.17 1.33 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 122.234 2.288 . . . . 0.0 109.861 -169.141 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.44 54.69 0.48 Allowed 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -174.542 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.92 -48.15 0.32 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 126.217 1.807 . . . . 0.0 110.381 173.4 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -61.2 -43.58 98.66 Favored 'General case' 0 CA--C 1.568 1.652 0 C-N-CA 126.699 2.0 . . . . 0.0 115.425 175.081 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.82 -50.68 73.07 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.466 1.484 . . . . 0.0 113.388 175.507 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.04 66.17 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 169.067 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -66.86 -57.07 7.72 Favored 'General case' 0 CA--C 1.576 1.962 0 CA-C-N 120.08 1.309 . . . . 0.0 112.281 169.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.51 -44.01 75.57 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 115.331 -2.271 . . . . 0.0 115.856 178.049 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.78 -37.89 76.52 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.438 2.381 . . . . 0.0 115.263 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -66.42 -36.08 81.91 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.62 -1.657 . . . . 0.0 114.404 167.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.78 -53.72 24.97 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 169.403 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.08 107.67 5.08 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 104.289 -2.485 . . . . 0.0 104.289 -168.652 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.88 -43.8 29.09 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -177.528 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.63 89.38 0.08 OUTLIER Glycine 0 C--N 1.354 1.566 0 CA-C-N 119.696 1.134 . . . . 0.0 110.561 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 120.981 -1.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -168.54 -61.1 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.637 1 O-C-N 115.829 -4.295 . . . . 0.0 111.226 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.64 128.88 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 129.609 3.164 . . . . 0.0 116.639 -167.871 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -155.31 107.44 2.24 Favored Pre-proline 0 CA--C 1.597 2.776 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 167.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.528 36.1 Cg_exo 64.36 -120.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 CA-C-N 126.962 3.522 . . . . 0.0 111.375 -177.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -114.08 65.94 0.67 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 124.664 1.228 . . . . 0.0 109.815 166.688 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t -102.33 100.56 10.74 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 167.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.57 -109.62 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.059 0 CA-C-O 117.096 -1.431 . . . . 0.0 107.197 -168.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -154.94 133.89 12.25 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.019 2.128 . . . . 0.0 105.549 172.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -33.58 92.63 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 N-CA-C 120.613 3.56 . . . . 0.0 120.613 -167.508 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t 45.06 58.39 4.09 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 174.064 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -145.48 -40.15 0.24 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 113.007 -1.906 . . . . 0.0 110.285 168.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.43 -48.46 72.67 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.171 1.788 . . . . 0.0 114.861 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.19 -47.84 77.54 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 121.368 1.895 . . . . 0.0 114.29 175.283 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -28.05 64.82 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 169.062 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.19 -56.32 9.15 Favored 'General case' 0 CA--C 1.578 2.023 0 CA-C-N 120.072 1.306 . . . . 0.0 112.113 169.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.4 -46.12 77.66 Favored 'General case' 0 CA--C 1.565 1.537 0 CA-C-O 115.551 -2.166 . . . . 0.0 115.517 177.479 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.2 -29.03 64.66 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 121.98 2.173 . . . . 0.0 115.493 176.215 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -69.83 -38.07 76.41 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.678 -1.63 . . . . 0.0 113.567 167.513 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -53.6 18.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 169.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -142.83 120.97 12.17 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -167.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.47 94.33 3.09 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.151 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.18 -89.44 0.07 OUTLIER Glycine 0 N--CA 1.475 1.268 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.514 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 120.872 -1.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.444 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -166.0 147.18 6.79 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 116.303 -3.998 . . . . 0.0 110.587 . . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.46 125.41 9.86 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 163.864 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -144.02 106.92 4.91 Favored Pre-proline 0 CA--C 1.595 2.676 0 N-CA-C 101.349 -3.574 . . . . 0.0 101.349 166.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.536 34.9 Cg_exo 63.38 -129.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.905 0 CA-C-N 126.562 3.379 . . . . 0.0 111.996 -177.837 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -101.93 64.74 0.96 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 124.527 1.142 . . . . 0.0 109.725 166.715 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.25 19.0 m -103.1 101.46 11.43 Favored 'General case' 0 CA--C 1.579 2.071 1 N-CA-C 99.991 -4.077 . . . . 0.0 99.991 166.519 . . . . . . . . 3 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 90.9 m-85 -80.37 -102.27 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.038 0 CA-C-O 116.744 -1.598 . . . . 0.0 109.48 -168.121 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 45.4 m -132.56 -93.65 0.35 Allowed 'General case' 0 C--N 1.359 1.015 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 173.141 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.522 3.4 ptm85 -135.62 -108.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 114.983 -2.437 . . . . 0.0 108.029 -168.626 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -126.96 72.39 1.36 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 123.17 2.714 . . . . 0.0 110.406 169.434 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.62 -38.18 0.2 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.706 2.002 . . . . 0.0 110.835 172.062 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -73.26 -47.68 41.05 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 115.431 -2.223 . . . . 0.0 114.845 -170.299 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.67 -41.72 98.15 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 122.553 2.433 . . . . 0.0 114.543 175.494 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.12 76.97 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 117.508 2.41 . . . . 0.0 117.508 168.726 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -69.63 -55.1 10.98 Favored 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 124.84 1.256 . . . . 0.0 111.491 167.579 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.17 -39.66 87.22 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 116.461 2.022 . . . . 0.0 116.461 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.17 -34.85 78.41 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 121.268 1.849 . . . . 0.0 115.489 170.093 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.58 -38.81 78.69 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 168.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.69 -51.98 35.9 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 173.504 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.85 -64.34 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.207 1.003 . . . . 0.0 112.659 -166.529 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 43.26 92.53 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -172.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.07 -88.32 1.4 Allowed Glycine 0 N--CA 1.479 1.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.193 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 120.984 -1.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.289 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.05 -49.62 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 125.504 1.752 . . . . 0.0 115.571 . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.22 124.35 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 129.571 3.148 . . . . 0.0 116.09 -166.341 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 t -152.1 108.55 2.83 Favored Pre-proline 0 CA--C 1.596 2.725 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 169.076 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.524 37.8 Cg_exo 63.14 -113.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.817 0 CA-C-N 126.886 3.495 . . . . 0.0 111.115 -178.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -119.38 65.03 0.79 Allowed 'General case' 0 CA--C 1.569 1.69 0 O-C-N 124.652 1.22 . . . . 0.0 109.756 166.413 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 t -100.43 92.48 5.18 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 167.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -79.51 -92.97 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 124.903 1.281 . . . . 0.0 109.197 -169.327 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 68.7 m -135.56 -100.46 0.22 Allowed 'General case' 0 C--N 1.358 0.936 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 172.096 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.437 9.2 ptp180 -145.95 -68.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 123.556 2.889 . . . . 0.0 113.912 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.0 p -130.09 -31.15 1.92 Allowed 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.34 -36.44 82.22 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 167.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.48 153.77 39.0 Favored 'General case' 0 CA--C 1.573 1.829 0 C-N-CA 124.902 1.281 . . . . 0.0 110.817 170.448 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.397 67.2 mt 79.72 -53.35 0.4 Allowed 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 125.978 1.711 . . . . 0.0 111.02 -166.382 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -32.83 69.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 167.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -70.14 -56.56 6.56 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.299 1.44 . . . . 0.0 110.345 165.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.36 -41.15 70.09 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 114.897 -2.478 . . . . 0.0 116.846 -174.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.81 -36.44 82.38 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-N 122.746 2.521 . . . . 0.0 115.657 -173.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -65.8 -36.2 82.85 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.671 -1.633 . . . . 0.0 114.667 167.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.97 -54.56 17.67 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.647 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -142.51 107.44 4.91 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -168.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.4 -44.42 24.92 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.61 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.1 87.27 1.33 Allowed Glycine 0 C--N 1.357 1.725 0 CA-C-N 119.781 1.173 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.867 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -139.15 94.81 2.85 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 125.057 1.473 . . . . 0.0 108.68 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.63 120.95 22.53 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -169.71 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -110.57 102.76 52.82 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 100.542 -3.873 . . . . 0.0 100.542 174.152 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 33.9 Cg_exo 63.73 -99.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.71 0 CA-C-N 126.678 3.421 . . . . 0.0 110.514 -174.244 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -128.63 64.81 1.43 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.794 165.533 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -97.91 96.84 8.46 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 168.834 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.26 -97.68 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 116.775 -1.583 . . . . 0.0 109.776 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 48.8 m -133.85 -101.4 0.25 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 102.92 -2.993 . . . . 0.0 102.92 172.544 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.325 10.9 ptm180 -151.11 87.13 1.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 122.518 2.417 . . . . 0.0 109.963 -169.116 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p 32.51 52.3 0.27 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -174.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.98 -28.91 0.78 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.783 -2.008 . . . . 0.0 112.959 170.794 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.0 -60.49 2.32 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 116.587 -1.673 . . . . 0.0 111.566 -173.005 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -43.02 -50.11 6.0 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.458 1.935 . . . . 0.0 115.417 174.479 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.66 68.55 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 118.294 2.702 . . . . 0.0 118.294 169.69 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -53.26 18.77 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 124.874 1.269 . . . . 0.0 112.068 168.187 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.68 -46.38 82.62 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 115.744 -2.074 . . . . 0.0 115.299 177.519 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.07 -6.61 23.66 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 173.249 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.65 -41.91 59.47 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 116.686 -1.626 . . . . 0.0 112.079 165.546 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.56 -50.76 34.08 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.228 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -128.1 107.15 9.57 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.209 1.003 . . . . 0.0 108.38 -169.093 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.89 94.11 3.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.213 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.32 -89.34 0.08 OUTLIER Glycine 0 N--CA 1.474 1.214 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.536 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 120.861 -1.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -151.68 157.32 41.93 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 126.126 2.141 . . . . 0.0 108.563 . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 126.65 9.87 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 165.059 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 t -132.71 96.54 18.31 Favored Pre-proline 0 CA--C 1.591 2.521 0 N-CA-C 100.709 -3.811 . . . . 0.0 100.709 166.356 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.512 48.4 Cg_exo 65.59 -95.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.733 0 CA-C-N 126.509 3.36 . . . . 0.0 111.582 -172.776 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -113.39 -7.29 13.48 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 168.476 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -87.26 138.42 31.5 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 108.701 -3.863 . . . . 0.0 105.121 166.247 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -121.99 -127.91 0.27 Allowed 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -167.248 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 m -110.84 -73.85 0.67 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 115.866 -2.016 . . . . 0.0 107.018 169.076 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.475 20.3 ptt-85 -149.85 -71.29 0.19 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 123.179 2.718 . . . . 0.0 112.948 178.172 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.2 t -136.35 -31.1 0.9 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.37 -34.58 61.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 169.609 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -77.42 -60.55 2.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.905 -169.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.91 -42.78 27.98 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.53 1.968 . . . . 0.0 115.328 177.345 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.29 64.21 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 168.776 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.59 -55.94 14.94 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-N 120.277 1.399 . . . . 0.0 112.068 168.51 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.07 -43.42 95.51 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 115.782 -2.056 . . . . 0.0 115.586 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.71 -32.65 65.9 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 121.604 2.002 . . . . 0.0 115.357 172.342 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -68.1 -38.58 82.48 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 116.797 -1.573 . . . . 0.0 113.932 168.025 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.87 -53.72 19.69 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 169.329 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -141.62 106.99 5.01 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 -168.543 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 -44.39 25.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -177.514 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.07 -87.34 1.32 Allowed Glycine 0 C--N 1.356 1.671 0 CA-C-N 119.808 1.186 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 120.859 -1.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -132.97 102.47 5.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 125.325 1.641 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -72.25 127.02 31.27 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.57 0.623 . . . . 0.0 111.087 -171.737 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -127.72 105.38 20.9 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 167.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 32.3 Cg_exo 64.44 -114.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.881 0 CA-C-N 126.816 3.47 . . . . 0.0 110.79 -174.539 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -114.34 63.37 0.66 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.648 1.217 . . . . 0.0 109.88 166.184 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -96.92 91.18 5.5 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 166.409 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.25 23.9 m-85 -75.14 -98.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.343 -166.116 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 m -136.77 -97.82 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 102.176 -3.268 . . . . 0.0 102.176 173.246 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.346 22.2 ptt-85 -149.92 82.56 1.39 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 122.177 2.262 . . . . 0.0 109.968 -170.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.289 7.9 t 61.84 -41.73 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -177.217 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.44 -29.39 35.18 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 174.238 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.23 -60.67 2.28 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 116.379 -1.772 . . . . 0.0 111.971 -174.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.08 -45.08 32.21 Favored 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 121.64 2.018 . . . . 0.0 115.873 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.23 69.12 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 167.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 3.5 ttmp? -68.85 -57.9 4.91 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 125.247 1.419 . . . . 0.0 111.651 167.701 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.98 -37.77 88.64 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 115.101 -2.38 . . . . 0.0 116.475 179.164 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.32 -37.88 84.87 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 122.622 2.465 . . . . 0.0 116.796 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.48 -38.06 88.67 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.683 169.138 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.02 -53.46 31.09 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 169.512 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.1 107.7 5.08 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 -168.636 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.36 -44.13 25.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -177.64 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.19 87.33 1.34 Allowed Glycine 0 C--N 1.356 1.693 0 CA-C-N 119.805 1.184 . . . . 0.0 111.091 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 120.935 -1.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -142.56 -54.04 0.41 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 125.666 1.854 . . . . 0.0 113.764 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.476 ' H ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER 35.17 103.69 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 129.191 2.996 . . . . 0.0 113.122 -164.344 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.07 100.65 14.15 Favored Pre-proline 0 CA--C 1.592 2.573 0 N-CA-C 100.801 -3.777 . . . . 0.0 100.801 -172.536 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 31.7 Cg_exo 62.75 -102.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.736 0 CA-C-N 126.704 3.43 . . . . 0.0 110.41 -174.001 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -124.7 63.26 1.12 Allowed 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.807 165.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.476 ' HA ' ' H ' ' A' ' 2' ' ' THR . 11.0 t -102.88 95.79 6.4 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 101.462 -3.532 . . . . 0.0 101.462 164.804 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.15 -95.4 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.973 0 CA-C-O 116.832 -1.556 . . . . 0.0 110.2 -166.509 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 49.9 m -136.71 -95.7 0.22 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 170.829 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.441 26.2 ptt180 -139.56 -65.58 0.47 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 122.18 2.264 . . . . 0.0 113.776 -169.259 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -139.06 -29.72 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 175.802 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.56 -35.77 74.9 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 170.049 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -74.18 -57.44 3.95 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 116.685 -1.626 . . . . 0.0 113.86 -169.764 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.83 -39.22 58.45 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.109 1.777 . . . . 0.0 115.356 176.208 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.46 59.82 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 168.035 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -64.94 -57.01 9.87 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 120.488 1.494 . . . . 0.0 111.989 168.784 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.29 -44.38 71.92 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 115.485 -2.198 . . . . 0.0 115.261 -178.342 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 -28.08 60.96 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 121.943 2.156 . . . . 0.0 115.032 177.1 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -70.82 -37.75 73.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 116.527 -1.701 . . . . 0.0 113.381 167.19 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.9 -53.88 15.97 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -142.62 121.01 12.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -167.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.6 94.37 3.08 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.243 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -89.36 0.08 OUTLIER Glycine 0 N--CA 1.475 1.264 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.559 -178.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 120.972 -1.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.459 ' HB2' ' H ' ' A' ' 8' ' ' PHE . 90.4 m-85 -149.14 158.94 44.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 125.802 1.939 . . . . 0.0 110.728 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.87 123.19 9.61 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 162.164 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.79 95.42 6.32 Favored Pre-proline 0 CA--C 1.59 2.504 0 N-CA-C 100.504 -3.887 . . . . 0.0 100.504 169.224 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 36.3 Cg_exo 63.73 -122.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.763 0 CA-C-N 126.415 3.327 . . . . 0.0 111.207 -172.74 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -80.58 -18.64 47.67 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 165.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.4 m -98.87 100.53 11.72 Favored 'General case' 0 CA--C 1.588 2.417 2 N-CA-C 98.379 -4.674 . . . . 0.0 98.379 160.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.459 ' H ' ' HB2' ' A' ' 1' ' ' TYR 0.254 83.0 m-85 -79.98 -122.07 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 117.449 -1.263 . . . . 0.0 108.367 -165.755 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.312 43.1 m -111.48 -107.23 0.36 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 167.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.251 6.3 mmm180 -135.03 -60.98 0.76 Allowed 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.977 -1.487 . . . . 0.0 114.809 -164.122 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -139.04 -28.68 0.79 Allowed 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 171.703 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -40.95 88.21 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.222 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.79 -49.41 30.72 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 116.361 -1.781 . . . . 0.0 115.225 -169.92 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.38 -38.99 78.43 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.078 1.763 . . . . 0.0 115.064 176.849 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.87 58.66 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 168.871 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 121.059 1.754 . . . . 0.0 113.715 169.254 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.46 -44.68 61.99 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 115.637 -2.125 . . . . 0.0 114.742 -175.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.61 -17.48 62.89 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.654 2.024 . . . . 0.0 115.969 171.701 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -72.93 -45.86 55.77 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 116.851 -1.547 . . . . 0.0 112.696 167.248 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.15 -55.84 5.93 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 173.295 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -140.05 117.3 11.28 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -167.257 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.01 -44.19 2.06 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.1 179.95 45.99 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 123.658 1.699 . . . . 0.0 113.712 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.66 0 O-C-N 120.743 -1.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.33 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.43 94.77 2.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 124.974 1.421 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.56 119.48 20.45 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -169.799 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.95 103.05 54.24 Favored Pre-proline 0 CA--C 1.592 2.57 0 N-CA-C 100.583 -3.858 . . . . 0.0 100.583 173.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.4 Cg_exo 64.16 -103.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.821 0 CA-C-N 126.466 3.345 . . . . 0.0 110.301 -173.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -124.35 64.3 1.08 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.684 165.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -98.1 94.54 6.89 Favored 'General case' 0 CA--C 1.563 1.468 0 N-CA-C 104.092 -2.558 . . . . 0.0 104.092 168.28 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.77 -95.91 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.763 -167.507 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 50.3 m -130.14 -90.15 0.47 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 169.807 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.459 8.9 ptp180 -136.72 -69.28 0.47 Allowed 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 121.89 2.132 . . . . 0.0 112.281 -171.187 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 t -138.12 -32.91 0.71 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 172.128 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.83 -28.96 38.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 173.925 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -79.26 -64.53 1.16 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 116.349 -1.786 . . . . 0.0 112.446 -168.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -50.03 -42.38 49.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 121.684 2.038 . . . . 0.0 115.536 177.103 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.9 71.55 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 167.754 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.32 -57.33 5.45 Favored 'General case' 0 CA--C 1.583 2.221 0 C-N-CA 125.194 1.398 . . . . 0.0 111.222 167.305 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.29 -35.26 80.47 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 114.688 -2.577 . . . . 0.0 116.468 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.82 -38.61 91.73 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 123.18 2.718 . . . . 0.0 116.621 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -65.13 -38.11 89.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 116.803 -1.57 . . . . 0.0 114.776 169.296 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.16 -53.39 30.99 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 169.438 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.09 107.54 5.04 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 -168.643 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.09 -43.96 27.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -177.734 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.84 -89.31 0.08 OUTLIER Glycine 0 C--N 1.353 1.526 0 CA-C-N 119.727 1.149 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 120.948 -1.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.427 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 107.667 -1.235 . . . . 0.0 107.667 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.74 125.54 9.06 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 164.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.09 106.88 3.64 Favored Pre-proline 0 CA--C 1.592 2.562 0 N-CA-C 102.126 -3.287 . . . . 0.0 102.126 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 35.2 Cg_exo 60.84 -122.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.936 0 CA-C-N 126.997 3.535 . . . . 0.0 111.796 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 124.724 1.265 . . . . 0.0 109.74 166.326 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.57 1.731 0 N-CA-C 101.314 -3.587 . . . . 0.0 101.314 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.427 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.1 m-85 -83.87 -124.52 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.794 1.637 . . . . 0.0 109.156 -167.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -111.6 -95.22 0.43 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.444 0.0 OUTLIER -141.6 -67.29 0.4 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-N 123.747 2.976 . . . . 0.0 114.141 -169.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.1 p -136.98 -28.7 0.94 Allowed 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.75 -37.32 81.41 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.19 -58.11 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.601 -169.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.52 -42.74 64.61 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.607 2.003 . . . . 0.0 114.976 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.24 65.23 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -67.22 -54.71 18.52 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 120.196 1.362 . . . . 0.0 112.265 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.39 -44.62 82.54 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.75 -2.071 . . . . 0.0 115.33 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.15 -29.69 63.06 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.669 2.031 . . . . 0.0 115.314 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.14 -38.09 75.41 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 116.575 -1.678 . . . . 0.0 113.531 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.89 -54.23 16.71 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 120.606 1.548 . . . . 0.0 114.935 169.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.07 106.92 4.89 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 -168.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.388 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.502 2.161 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.01 124.77 9.11 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 165.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -148.89 106.57 3.43 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.366 -3.568 . . . . 0.0 101.366 167.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.533 32.3 Cg_exo 62.59 -132.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.844 0 CA-C-N 126.425 3.33 . . . . 0.0 112.374 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.492 1.663 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 166.519 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.264 15.4 m . . . . . 0 CA--C 1.583 2.245 1 N-CA-C 99.59 -4.226 . . . . 0.0 99.59 . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -82.77 -99.73 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 CA-C-O 116.93 -1.509 . . . . 0.0 109.573 -167.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 67.6 m -131.3 -109.68 0.25 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 40.2 ptt85 -163.82 107.54 0.98 Allowed 'General case' 0 C--N 1.37 1.494 0 CA-C-N 123.78 2.991 . . . . 0.0 111.079 -171.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p 35.44 46.34 0.27 Allowed 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -153.55 -45.6 0.09 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 127.225 2.21 . . . . 0.0 108.65 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.275 4.7 tp10 -67.59 -47.68 69.03 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 127.931 2.492 . . . . 0.0 115.821 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.56 -50.17 70.76 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.94 1.7 . . . . 0.0 114.35 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 169.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -67.12 -52.53 40.65 Favored 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 124.972 1.309 . . . . 0.0 111.859 168.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.72 -49.12 69.62 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 116.02 -1.943 . . . . 0.0 115.869 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.67 -29.7 67.21 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 121.115 1.78 . . . . 0.0 115.37 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -68.99 -37.46 78.75 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 116.57 -1.681 . . . . 0.0 113.563 167.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.27 -53.59 18.98 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -143.26 121.0 11.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -168.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 176.714 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.2 p90 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.34 120.77 22.83 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -169.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -111.93 109.67 54.82 Favored Pre-proline 0 CA--C 1.594 2.646 0 N-CA-C 101.005 -3.702 . . . . 0.0 101.005 170.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 62.0 Cg_endo 52.09 -102.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.772 0 C-N-CA 124.431 3.421 . . . . 0.0 113.202 -170.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p . . . . . 0 N--CA 1.492 1.657 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.116 167.169 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 CA--C 1.563 1.461 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.84 -99.28 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 116.951 -1.499 . . . . 0.0 109.809 -167.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.0 m -133.54 -98.37 0.27 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 101.892 -3.373 . . . . 0.0 101.892 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.338 10.9 ptm180 -150.69 83.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 122.174 2.261 . . . . 0.0 109.89 -169.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.277 78.6 p 61.31 -38.6 0.11 Allowed 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.21 -31.49 67.39 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.68 -61.44 1.92 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.714 -1.612 . . . . 0.0 111.972 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.07 -50.9 8.28 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 121.427 1.921 . . . . 0.0 115.136 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -32.15 73.65 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.01 -54.74 18.75 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.144 1.377 . . . . 0.0 112.465 168.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.66 -46.43 89.77 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-O 115.771 -2.061 . . . . 0.0 115.278 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.49 -18.73 65.17 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 121.558 1.981 . . . . 0.0 116.257 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -72.32 -45.31 60.51 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.915 -1.517 . . . . 0.0 113.058 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.12 -54.41 11.16 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -140.71 119.38 12.42 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -167.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.761 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -179.02 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.52 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.779 0 CA-C-O 119.805 -0.141 . . . . 0.0 111.191 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.34 113.09 8.02 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 118.8 -2.438 . . . . 0.0 109.761 -166.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.2 t -106.02 109.63 63.33 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 55.6 Cg_endo 54.53 -100.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.839 0 CA-C-N 126.518 3.363 . . . . 0.0 112.965 -169.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.495 1.795 0 C-N-CA 123.986 0.914 . . . . 0.0 110.847 167.023 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.6 p . . . . . 0 CA--C 1.565 1.537 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.52 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 0.3 OUTLIER -124.67 -126.95 0.25 Allowed 'General case' 0 CA--C 1.59 2.482 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 -176.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.7 m -120.03 142.14 49.1 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -64.59 -62.16 1.76 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -164.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -124.36 68.11 1.07 Allowed 'General case' 0 N--CA 1.503 2.216 0 CA-C-N 121.58 1.991 . . . . 0.0 115.027 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.04 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 127.69 2.396 . . . . 0.0 109.906 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.265 13.2 tp10 -70.51 -52.41 22.08 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 127.431 2.292 . . . . 0.0 115.698 -169.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.63 -41.92 92.08 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 121.294 1.861 . . . . 0.0 114.363 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -23.15 67.29 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 166.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.272 86.1 tttt -68.48 -57.75 5.35 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 125.355 1.462 . . . . 0.0 111.307 168.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.66 -43.34 84.84 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 115.731 -2.08 . . . . 0.0 116.29 175.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.12 -34.48 22.24 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.82 -41.28 87.73 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 116.696 -1.621 . . . . 0.0 114.267 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.46 -51.28 24.64 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 120.437 1.471 . . . . 0.0 113.981 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -141.84 119.16 11.49 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.11 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.9 p90 . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.48 126.55 31.23 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -169.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -123.83 103.38 34.1 Favored Pre-proline 0 CA--C 1.593 2.596 0 N-CA-C 100.55 -3.871 . . . . 0.0 100.55 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 32.3 Cg_exo 64.18 -105.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.794 0 CA-C-N 126.53 3.368 . . . . 0.0 110.472 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 CA--C 1.57 1.713 0 O-C-N 124.6 1.187 . . . . 0.0 109.754 166.121 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.565 1.535 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 13.6 m-85 -74.42 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 116.726 -1.607 . . . . 0.0 110.88 -166.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.273 15.1 t -138.68 -101.13 0.17 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 102.713 -3.069 . . . . 0.0 102.713 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.0 ptt85 -150.89 85.65 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.282 2.31 . . . . 0.0 109.702 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t 31.62 51.58 0.17 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -135.97 -30.54 0.96 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.798 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -79.84 -57.45 3.65 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 116.521 -1.704 . . . . 0.0 111.756 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -41.83 -49.12 4.44 Favored 'General case' 0 N--CA 1.506 2.338 0 CA-C-N 121.709 2.049 . . . . 0.0 115.36 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.39 -29.09 66.77 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 118.132 2.642 . . . . 0.0 118.132 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.69 -55.26 13.91 Favored 'General case' 0 CA--C 1.582 2.188 0 C-N-CA 124.879 1.272 . . . . 0.0 112.019 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.77 -47.8 71.05 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 115.684 -2.103 . . . . 0.0 114.941 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.71 -30.48 67.04 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 121.825 2.102 . . . . 0.0 115.307 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.35 -36.62 77.05 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.544 166.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.6 -52.73 23.41 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -132.91 -52.33 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -167.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 126.69 1.996 . . . . 0.0 114.063 -174.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.46 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.49 124.98 8.9 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 104.899 -2.259 . . . . 0.0 104.899 162.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.74 110.15 4.82 Favored Pre-proline 0 CA--C 1.591 2.524 0 CA-C-O 113.427 -3.178 . . . . 0.0 104.106 167.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.41 22.3 Cg_exo 45.59 52.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 0 CA-C-N 127.827 3.831 . . . . 0.0 117.692 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.29 62.8 p . . . . . 0 N--CA 1.504 2.228 0 C-N-CA 126.094 1.758 . . . . 0.0 115.719 -165.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t . . . . . 0 CA--C 1.566 1.573 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.46 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 49.3 m-85 -98.0 -112.29 0.16 Allowed 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 137.56 23.24 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.756 2.023 . . . . 0.0 106.052 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -34.14 93.44 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 -167.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p 41.3 56.94 3.03 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -141.51 -37.39 0.42 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.536 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.21 -53.29 17.69 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.159 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.13 -45.21 68.24 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 121.784 2.084 . . . . 0.0 114.624 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.73 64.37 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -54.76 15.76 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-N 120.179 1.354 . . . . 0.0 112.21 169.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.32 -45.47 76.35 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 115.543 -2.17 . . . . 0.0 115.302 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.94 -26.63 65.17 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 121.987 2.176 . . . . 0.0 116.218 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -38.06 71.91 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.607 1.548 . . . . 0.0 114.965 166.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.56 -54.86 12.05 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -141.76 106.38 4.87 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 -168.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -177.377 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.75 126.59 11.11 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 163.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -135.93 90.07 19.65 Favored Pre-proline 0 CA--C 1.593 2.62 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 166.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.428 57.1 Cg_endo 44.61 63.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 C-N-CA 124.893 3.728 . . . . 0.0 116.588 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.292 59.3 p . . . . . 0 CA--C 1.581 2.154 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -166.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 CA--C 1.574 1.897 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -124.27 -127.96 0.25 Allowed 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -139.03 124.28 19.12 Favored 'General case' 0 N--CA 1.473 0.708 1 N-CA-C 99.54 -4.244 . . . . 0.0 99.54 166.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.469 20.1 ptt-85 -22.14 -50.15 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.108 1 N-CA-C 124.891 5.145 . . . . 0.0 124.891 -160.894 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -131.16 -42.59 1.08 Allowed 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -172.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.96 -31.66 73.01 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.04 -63.7 1.09 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.801 -169.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.26 6.9 tt -52.0 -43.26 63.56 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 121.272 1.851 . . . . 0.0 114.883 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.3 69.35 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.842 2.534 . . . . 0.0 117.842 167.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.98 -54.09 17.13 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 124.751 1.22 . . . . 0.0 111.931 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.13 -40.63 78.16 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 114.742 -2.552 . . . . 0.0 116.006 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.22 -38.39 87.83 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-N 123.205 2.73 . . . . 0.0 115.813 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.26 42.7 ptt85 -62.78 -40.42 97.26 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 167.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.81 -53.58 31.37 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.31 106.86 4.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -177.588 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.462 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.31 125.66 9.41 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 162.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 t -137.59 106.91 8.39 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 166.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 38.5 Cg_exo 61.18 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.874 0 CA-C-N 127.566 3.738 . . . . 0.0 111.266 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p . . . . . 0 CA--C 1.569 1.673 0 O-C-N 124.568 1.167 . . . . 0.0 110.416 166.39 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.567 1.6 0 N-CA-C 105.064 -2.199 . . . . 0.0 105.064 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.462 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.3 m-85 -95.48 -113.82 0.12 Allowed 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -169.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -150.74 116.57 5.53 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 23.74 67.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 120.482 3.512 . . . . 0.0 120.482 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 7.9 t 64.18 -40.75 0.24 Allowed 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -48.32 -24.25 1.15 Allowed 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 119.944 3.312 . . . . 0.0 119.944 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -87.1 -64.79 1.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.084 -2.389 . . . . 0.0 111.314 -168.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.7 -32.19 65.23 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 123.229 2.74 . . . . 0.0 116.053 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.84 68.21 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 166.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 86.3 tttt -72.05 -60.07 2.42 Favored 'General case' 0 CA--C 1.583 2.213 0 C-N-CA 125.605 1.562 . . . . 0.0 110.647 167.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -53.04 -40.94 64.31 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.99 -34.97 79.21 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 121.193 1.815 . . . . 0.0 115.718 171.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -60.23 -43.25 96.2 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.25 -54.13 10.48 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 169.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -141.27 120.59 13.07 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -167.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -179.501 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 p90 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.28 133.62 15.37 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.29 1.859 . . . . 0.0 106.653 168.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -124.06 105.29 31.89 Favored Pre-proline 0 CA--C 1.591 2.55 0 N-CA-C 102.059 -3.311 . . . . 0.0 102.059 167.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.5 Cg_exo 64.01 -103.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.886 0 CA-C-N 126.92 3.507 . . . . 0.0 110.218 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p . . . . . 0 CA--C 1.568 1.669 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.79 166.013 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.561 1.383 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.271 13.5 m-85 -100.45 -104.7 0.24 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 -175.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -142.27 124.67 15.65 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 121.575 1.988 . . . . 0.0 106.585 168.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -21.01 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -168.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 14.5 m 66.42 -36.32 0.25 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -46.49 -31.66 2.86 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 119.445 3.128 . . . . 0.0 119.445 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -87.59 -47.88 8.35 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 115.411 -2.233 . . . . 0.0 113.748 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.28 -34.65 78.84 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 122.32 2.327 . . . . 0.0 115.138 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.78 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 116.615 2.079 . . . . 0.0 116.615 167.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -65.26 -43.13 92.29 Favored 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 125.897 1.679 . . . . 0.0 113.376 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.91 -41.57 59.46 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 115.56 -2.162 . . . . 0.0 115.056 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.61 -36.61 81.23 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 121.891 2.132 . . . . 0.0 116.351 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.03 -36.12 81.41 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 116.607 -1.663 . . . . 0.0 114.419 167.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.43 -53.64 27.34 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -142.87 107.55 4.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 104.211 -2.515 . . . . 0.0 104.211 -168.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -178.128 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.4 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.87 127.72 9.57 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 164.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.05 105.67 5.69 Favored Pre-proline 0 CA--C 1.592 2.572 0 N-CA-C 102.815 -3.031 . . . . 0.0 102.815 166.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.523 34.2 Cg_exo 61.7 -110.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.932 0 CA-C-N 127.386 3.674 . . . . 0.0 111.312 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 CA--C 1.571 1.754 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 166.399 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 CA--C 1.576 1.943 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.4 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 76.8 m-85 -102.1 -124.74 0.19 Allowed 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -168.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 75.3 m -130.33 -110.83 0.26 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.341 14.7 ptp180 -139.66 78.49 1.67 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 122.788 2.54 . . . . 0.0 109.837 -169.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m 19.38 50.49 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.109 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -170.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -112.78 -35.96 5.31 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.166 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.251 12.1 pt-20 -81.51 -64.32 1.21 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 126.163 1.785 . . . . 0.0 113.018 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.44 -45.66 56.02 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.57 68.97 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 168.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.92 -51.56 25.29 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.747 168.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.92 -45.19 93.36 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 115.455 -2.212 . . . . 0.0 116.497 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.12 -37.51 85.89 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 122.194 2.27 . . . . 0.0 116.186 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -65.55 -36.77 84.78 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 116.695 -1.622 . . . . 0.0 114.623 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.68 -54.55 15.6 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 120.415 1.462 . . . . 0.0 114.865 169.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -143.65 107.94 4.78 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -168.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 178.51 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.68 125.78 9.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 164.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t -137.97 105.87 8.1 Favored Pre-proline 0 CA--C 1.59 2.519 0 N-CA-C 102.524 -3.139 . . . . 0.0 102.524 166.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 31.4 Cg_exo 63.15 -109.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.928 0 CA-C-N 126.989 3.532 . . . . 0.0 110.854 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p . . . . . 0 CA--C 1.57 1.733 0 O-C-N 124.575 1.172 . . . . 0.0 110.709 166.121 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 m . . . . . 0 CA--C 1.583 2.245 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -122.22 -119.59 0.29 Allowed 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.043 -168.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -115.54 -78.52 0.58 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 115.919 -1.991 . . . . 0.0 107.0 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.467 20.7 ptt-85 -151.0 -71.73 0.17 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.045 2.657 . . . . 0.0 112.418 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -136.95 -30.7 0.86 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.8 -26.61 47.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 170.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -80.22 -64.12 1.26 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 115.813 -2.042 . . . . 0.0 112.008 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -37.78 71.94 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.458 2.39 . . . . 0.0 115.659 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.48 69.87 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 166.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.8 -57.3 5.26 Favored 'General case' 0 CA--C 1.582 2.21 0 C-N-CA 125.037 1.335 . . . . 0.0 111.01 167.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.53 -36.76 84.86 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 115.258 -2.306 . . . . 0.0 116.718 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.19 -36.38 75.25 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.366 2.348 . . . . 0.0 117.182 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -64.47 -39.35 93.65 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.909 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.22 -53.45 19.86 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -143.43 119.67 10.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -167.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 1.3 t80 . . . . . 0 N--CA 1.509 2.516 0 N-CA-C 114.468 1.285 . . . . 0.0 114.468 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 p 25.92 118.09 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -167.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -140.81 106.54 6.34 Favored Pre-proline 0 CA--C 1.595 2.707 0 N-CA-C 100.947 -3.723 . . . . 0.0 100.947 166.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 31.5 Cg_exo 64.5 -119.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.897 0 CA-C-N 126.791 3.461 . . . . 0.0 111.342 -176.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.492 1.632 0 O-C-N 124.625 1.203 . . . . 0.0 110.432 167.011 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m . . . . . 0 CA--C 1.575 1.917 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.407 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 80.4 m-85 -82.72 -109.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 116.941 -1.504 . . . . 0.0 109.38 -167.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 48.7 m -131.75 -101.95 0.28 Allowed 'General case' 0 C--N 1.359 0.994 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.327 36.0 ptt180 -152.28 88.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.973 2.624 . . . . 0.0 110.128 -168.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.13 50.69 0.25 Allowed 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 119.208 3.04 . . . . 0.0 119.208 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -138.04 -42.57 0.52 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.583 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.3 -39.02 93.07 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 115.735 -2.079 . . . . 0.0 116.135 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.81 -48.74 75.62 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 121.849 2.113 . . . . 0.0 113.842 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.01 -32.13 72.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -66.65 -52.68 42.26 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 124.729 1.211 . . . . 0.0 111.841 167.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.57 -41.3 76.02 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 115.207 -2.33 . . . . 0.0 116.103 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.13 -37.26 86.8 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-N 122.269 2.304 . . . . 0.0 116.186 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.96 -36.64 83.89 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.643 -1.646 . . . . 0.0 114.549 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.72 -53.88 23.88 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.6 107.75 4.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 -177.866 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.85 125.8 9.13 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 164.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -139.98 107.24 6.86 Favored Pre-proline 0 CA--C 1.591 2.551 0 N-CA-C 102.287 -3.227 . . . . 0.0 102.287 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 38.0 Cg_exo 61.54 -112.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.937 0 CA-C-N 127.308 3.646 . . . . 0.0 111.202 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 CA--C 1.569 1.698 0 O-C-N 124.612 1.195 . . . . 0.0 110.351 166.155 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.574 1.903 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.401 ' H ' ' CB ' ' A' ' 1' ' ' TYR . 92.1 m-85 -106.79 -127.82 0.26 Allowed 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 125.029 1.331 . . . . 0.0 108.449 -166.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 t -102.08 -83.73 0.46 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.46 25.5 ptt180 -149.96 -70.25 0.19 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 122.965 2.62 . . . . 0.0 112.735 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -134.91 -27.55 1.26 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.28 -40.45 81.93 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 170.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.63 -47.48 59.84 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 115.672 -2.109 . . . . 0.0 115.56 -169.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.26 -44.17 88.96 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 122.733 2.515 . . . . 0.0 114.047 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.18 70.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 117.803 2.519 . . . . 0.0 117.803 167.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -71.06 -62.33 1.44 Allowed 'General case' 0 CA--C 1.576 1.955 0 C-N-CA 125.18 1.392 . . . . 0.0 110.89 167.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.26 -22.54 66.32 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.907 -2.949 . . . . 0.0 117.446 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.32 -39.73 95.36 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 124.406 3.275 . . . . 0.0 116.931 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.14 -40.58 96.46 Favored 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 117.031 -1.461 . . . . 0.0 114.865 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -67.43 -52.58 37.94 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.89 107.45 4.82 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 -168.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -176.082 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.5 p90 . . . . . 0 N--CA 1.487 1.387 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.7 112.89 12.54 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -171.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -110.04 101.96 49.19 Favored Pre-proline 0 CA--C 1.593 2.616 0 N-CA-C 100.271 -3.974 . . . . 0.0 100.271 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.527 46.3 Cg_exo 66.17 -107.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.744 0 CA-C-N 126.204 3.252 . . . . 0.0 110.143 -171.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.567 1.632 0 O-C-N 124.471 1.107 . . . . 0.0 109.662 166.15 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 CA--C 1.561 1.393 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 0.3 OUTLIER -90.71 -120.98 0.07 Allowed 'General case' 0 CA--C 1.585 2.316 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -168.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -132.89 121.65 23.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 102.938 -2.986 . . . . 0.0 102.938 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -39.65 -51.06 2.3 Favored 'General case' 0 CA--C 1.562 1.409 1 N-CA-C 123.014 4.45 . . . . 0.0 123.014 -163.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -106.75 -48.02 3.61 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 119.043 2.979 . . . . 0.0 119.043 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.51 -15.39 63.64 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -117.03 148.21 41.68 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.121 1.368 . . . . 0.0 108.309 -171.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.379 5.9 tp 61.33 -30.47 0.07 Allowed 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 -167.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.82 88.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.338 1.426 . . . . 0.0 114.723 164.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.37 -45.55 72.48 Favored 'General case' 0 CA--C 1.574 1.886 0 C-N-CA 125.523 1.529 . . . . 0.0 112.597 169.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.22 -43.64 86.08 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.707 -2.092 . . . . 0.0 115.605 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.81 -37.15 83.35 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-N 121.69 2.041 . . . . 0.0 116.276 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.2 -36.72 83.8 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.447 168.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.22 -53.72 27.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.76 4.99 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 -168.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -177.63 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 N--CA 1.493 1.709 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 33.37 111.54 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.977 2.911 . . . . 0.0 115.141 -165.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 t -117.31 105.45 48.64 Favored Pre-proline 0 CA--C 1.593 2.63 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 32.4 Cg_exo 62.38 -100.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.791 0 CA-C-N 126.981 3.529 . . . . 0.0 110.526 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 CA--C 1.572 1.815 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.55 166.265 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 CA--C 1.568 1.665 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -118.03 -123.86 0.29 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 -168.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.8 m -152.71 114.62 4.36 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 14.96 64.3 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 120.4 3.481 . . . . 0.0 120.4 169.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t 30.29 43.96 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 121.704 3.965 . . . . 0.0 121.704 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -105.4 -38.42 6.49 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.237 164.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.06 -57.76 3.75 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.078 -1.915 . . . . 0.0 115.12 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.42 -40.85 75.41 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.499 2.409 . . . . 0.0 115.742 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -27.19 68.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -72.91 -52.19 15.66 Favored 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 117.265 -1.35 . . . . 0.0 111.254 167.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.92 -42.45 99.11 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 115.512 -2.185 . . . . 0.0 116.858 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.05 -42.92 86.43 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 122.113 2.233 . . . . 0.0 115.946 -175.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.256 34.4 ptt180 -65.44 -39.89 92.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 167.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.72 -49.0 76.8 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.312 54.9 m-70 -123.57 -116.04 0.3 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 116.633 -1.651 . . . . 0.0 106.554 -167.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.718 0 CA-C-N 121.967 2.167 . . . . 0.0 114.638 -172.473 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.95 125.72 9.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -138.57 107.04 7.71 Favored Pre-proline 0 CA--C 1.59 2.506 0 N-CA-C 102.446 -3.168 . . . . 0.0 102.446 166.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 35.3 Cg_exo 61.83 -110.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.966 0 CA-C-N 127.332 3.654 . . . . 0.0 111.187 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p . . . . . 0 CA--C 1.568 1.652 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 166.18 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 CA--C 1.573 1.851 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -106.54 -122.63 0.23 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 124.853 1.261 . . . . 0.0 108.354 -167.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -108.97 -81.35 0.57 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 115.679 -2.105 . . . . 0.0 105.938 172.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.465 7.0 ptm180 -150.3 -71.15 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 123.318 2.781 . . . . 0.0 113.098 -177.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.1 p -135.6 -29.54 1.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.77 -34.83 73.51 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.24 -60.32 2.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 115.86 -2.019 . . . . 0.0 113.945 -169.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.79 -41.1 85.9 Favored 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 122.289 2.313 . . . . 0.0 114.978 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.66 -29.01 70.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 167.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -70.45 -56.99 5.29 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 124.929 1.291 . . . . 0.0 111.396 167.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.97 -28.32 65.44 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 114.567 -2.635 . . . . 0.0 116.398 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.1 -38.81 87.63 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 123.452 2.842 . . . . 0.0 116.971 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -39.57 94.16 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.945 -1.503 . . . . 0.0 114.865 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -66.89 -53.2 34.54 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 169.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -141.92 107.33 5.03 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 104.173 -2.528 . . . . 0.0 104.173 -168.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -177.508 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.2 124.51 8.85 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 163.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.76 106.21 10.69 Favored Pre-proline 0 CA--C 1.59 2.514 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 166.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 31.3 Cg_exo 62.93 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.923 0 CA-C-N 127.109 3.575 . . . . 0.0 110.743 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.568 1.652 0 O-C-N 124.693 1.246 . . . . 0.0 110.189 166.012 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.576 1.956 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -126.45 -130.85 0.24 Allowed 'General case' 0 CA--C 1.583 2.222 0 C-N-CA 124.854 1.262 . . . . 0.0 108.101 -166.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m -102.35 -102.28 0.28 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 102.134 -3.284 . . . . 0.0 102.134 168.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.407 10.8 ptm180 -153.34 -58.93 0.13 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 125.385 3.72 . . . . 0.0 117.147 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -124.75 -41.64 2.11 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.74 -37.39 84.56 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.259 16.7 tp10 -71.18 -51.45 24.76 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -167.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.5 -46.82 88.72 Favored 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 122.058 2.208 . . . . 0.0 114.351 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -22.13 66.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 50.6 tttp -67.04 -54.29 23.01 Favored 'General case' 0 CA--C 1.577 2.018 0 C-N-CA 125.239 1.415 . . . . 0.0 112.087 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.38 -46.5 83.06 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 115.786 -2.054 . . . . 0.0 116.03 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.52 -36.04 76.05 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.731 2.059 . . . . 0.0 114.788 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.95 -37.4 87.52 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.866 -1.54 . . . . 0.0 114.48 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.04 -51.69 44.03 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -141.08 107.54 5.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 -168.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -177.815 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.102 0.477 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.22 124.78 9.67 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 161.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.5 105.21 13.18 Favored Pre-proline 0 CA--C 1.591 2.546 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 167.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.513 31.6 Cg_exo 63.07 -101.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.944 0 CA-C-N 127.191 3.604 . . . . 0.0 110.618 -176.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 N--CA 1.493 1.681 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.71 165.787 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 CA--C 1.57 1.713 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.26 -130.05 0.21 Allowed 'General case' 0 CA--C 1.591 2.541 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.44 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 32.1 t -119.24 148.97 42.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.558 2.343 . . . . 0.0 105.022 167.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -59.3 -53.98 52.0 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 119.364 3.098 . . . . 0.0 119.364 -164.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -122.89 -44.09 2.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.24 -13.58 62.11 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 173.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' HG2' ' H ' ' A' ' 9' ' ' SER 0.32 4.1 tp10 -103.55 -73.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.71 -2.09 . . . . 0.0 111.797 -167.248 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -57.99 -31.55 67.03 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 122.879 2.581 . . . . 0.0 115.348 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.51 69.95 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 165.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -47.56 58.97 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.22 1.408 . . . . 0.0 113.03 168.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.15 -46.39 81.1 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 115.949 -1.977 . . . . 0.0 115.377 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.36 -37.06 81.98 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -66.39 -36.66 83.41 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 116.669 -1.634 . . . . 0.0 114.424 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.2 -53.69 27.99 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.82 5.01 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.813 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.429 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 1.3 t80 . . . . . 0 N--CA 1.506 2.362 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.35 123.67 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 129.405 3.082 . . . . 0.0 116.079 -166.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -151.25 113.14 3.05 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 102.847 -3.02 . . . . 0.0 102.847 168.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.408 25.0 Cg_exo 48.13 50.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 CA-C-N 127.43 3.689 . . . . 0.0 117.491 173.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.285 69.9 p . . . . . 0 N--CA 1.504 2.237 0 C-N-CA 126.024 1.73 . . . . 0.0 115.611 -165.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 CA--C 1.571 1.756 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 99.5 m-85 -86.79 -118.58 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 117.389 -1.291 . . . . 0.0 108.159 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 t -110.15 -93.4 0.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 101.77 -3.418 . . . . 0.0 101.77 169.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.443 14.2 ptp180 -143.36 -65.85 0.38 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 122.809 2.55 . . . . 0.0 113.688 -171.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 t -136.57 -30.29 0.92 Allowed 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.43 -37.69 75.92 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.392 2.368 . . . . 0.0 117.392 171.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -71.96 -49.88 33.61 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 115.64 -2.124 . . . . 0.0 115.151 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.21 -42.9 99.36 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 121.994 2.179 . . . . 0.0 114.486 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.11 77.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 168.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -66.45 -49.31 67.11 Favored 'General case' 0 CA--C 1.582 2.194 0 C-N-CA 124.949 1.299 . . . . 0.0 111.99 166.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.15 -39.18 63.45 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 115.118 -2.373 . . . . 0.0 115.585 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.98 -31.11 70.71 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 122.396 2.362 . . . . 0.0 116.917 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -66.13 -42.44 89.13 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 116.653 -1.641 . . . . 0.0 114.327 169.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.51 -52.08 17.26 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.579 1.536 . . . . 0.0 113.854 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -141.28 119.61 12.22 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.218 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 p90 . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 126.47 31.08 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -169.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -136.47 110.18 9.62 Favored Pre-proline 0 CA--C 1.594 2.668 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.417 24.7 Cg_exo 49.36 46.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.675 0 CA-C-N 127.067 3.56 . . . . 0.0 117.616 175.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.313 34.6 t . . . . . 0 N--CA 1.507 2.405 0 C-N-CA 125.848 1.659 . . . . 0.0 114.518 -165.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 CA--C 1.568 1.641 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.276 7.2 m-85 -76.3 -96.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.902 -165.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 19.1 t -136.08 -95.93 0.24 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 172.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.512 28.0 ptt180 -136.76 -88.16 0.3 Allowed 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 122.273 2.306 . . . . 0.0 109.243 -169.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -140.28 77.91 1.63 Allowed 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 121.61 2.005 . . . . 0.0 110.011 169.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -158.77 -33.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 127.029 2.131 . . . . 0.0 111.629 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.4 -62.97 1.47 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 115.969 -1.967 . . . . 0.0 111.681 -168.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -46.44 -42.05 14.75 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 122.396 2.362 . . . . 0.0 116.019 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.95 73.67 Favored 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 168.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.61 -58.18 5.14 Favored 'General case' 0 CA--C 1.585 2.305 0 C-N-CA 125.532 1.533 . . . . 0.0 111.532 167.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -37.78 88.79 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 114.704 -2.57 . . . . 0.0 116.232 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.13 -29.97 67.79 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-N 123.073 2.67 . . . . 0.0 117.42 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -66.9 -43.12 84.21 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 116.854 -1.546 . . . . 0.0 114.316 169.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -54.72 12.63 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -139.4 107.29 5.67 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -167.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -177.988 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.28 116.0 15.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.04 -1.038 . . . . 0.0 108.44 -168.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.6 t -107.85 103.47 49.75 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 100.673 -3.825 . . . . 0.0 100.673 173.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.526 48.2 Cg_exo 66.5 -106.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.79 0 CA-C-N 126.26 3.271 . . . . 0.0 110.073 -171.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 CA--C 1.567 1.604 0 O-C-N 124.567 1.167 . . . . 0.0 109.194 166.138 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 CA--C 1.57 1.712 0 N-CA-C 102.049 -3.315 . . . . 0.0 102.049 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.86 -126.02 0.12 Allowed 'General case' 0 CA--C 1.586 2.346 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -169.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -118.71 123.67 45.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 166.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.272 43.7 mtm180 -48.67 -61.45 2.02 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -161.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p -122.31 68.23 0.94 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.118 1.781 . . . . 0.0 114.521 -171.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -172.53 -41.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 127.124 2.17 . . . . 0.0 110.875 169.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.269 5.3 tp10 -70.09 -62.09 1.52 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.165 2.186 . . . . 0.0 115.966 -167.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.68 -35.36 79.95 Favored 'General case' 0 N--CA 1.504 2.249 0 CA-C-N 121.587 1.994 . . . . 0.0 114.611 176.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -28.63 70.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 165.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -70.34 -51.29 31.15 Favored 'General case' 0 CA--C 1.581 2.158 0 C-N-CA 124.994 1.318 . . . . 0.0 111.202 165.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.95 -43.05 93.97 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.02 -34.73 70.37 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.06 -38.17 87.65 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 116.762 -1.59 . . . . 0.0 114.526 168.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.68 -54.21 14.95 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 169.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -144.03 118.62 9.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -168.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.159 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.21 115.09 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 129.398 3.079 . . . . 0.0 114.926 -164.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.71 105.78 20.85 Favored Pre-proline 0 CA--C 1.594 2.652 0 N-CA-C 100.983 -3.71 . . . . 0.0 100.983 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 31.2 Cg_exo 62.06 -102.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.836 0 CA-C-N 127.153 3.59 . . . . 0.0 110.668 -174.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 CA--C 1.571 1.759 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.23 166.321 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 p . . . . . 0 CA--C 1.563 1.477 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.04 -115.55 0.25 Allowed 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.342 68.5 m -112.53 -120.91 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 168.089 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.34 57.7 mtp85 -131.55 -113.05 0.24 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 115.363 -2.256 . . . . 0.0 107.307 -164.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -84.58 -28.77 26.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 118.129 2.64 . . . . 0.0 118.129 -175.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.95 -39.45 92.15 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 169.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.09 155.38 30.6 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.814 1.245 . . . . 0.0 110.764 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.386 0.6 OUTLIER 75.37 -47.28 0.6 Allowed 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 -169.168 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.66 73.73 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 164.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -69.5 -55.19 10.92 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 125.385 1.474 . . . . 0.0 110.575 165.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.89 -38.38 82.94 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 115.171 -2.347 . . . . 0.0 117.146 -177.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.92 -35.73 82.08 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 122.415 2.371 . . . . 0.0 115.805 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -63.83 -39.49 94.34 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.92 -1.514 . . . . 0.0 114.67 168.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.1 -54.57 14.32 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -141.6 105.84 4.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 -168.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -176.974 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CB ' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.54 125.39 9.8 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 162.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.1 105.35 9.54 Favored Pre-proline 0 CA--C 1.591 2.539 0 N-CA-C 102.375 -3.194 . . . . 0.0 102.375 166.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 34.1 Cg_exo 62.29 -106.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.91 0 CA-C-N 127.329 3.653 . . . . 0.0 110.808 -176.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p . . . . . 0 CA--C 1.57 1.735 0 O-C-N 124.626 1.204 . . . . 0.0 110.231 165.994 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 CA--C 1.57 1.713 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.409 ' H ' ' CB ' ' A' ' 1' ' ' TYR . 2.2 m-85 -126.48 -131.04 0.24 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -173.114 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 73.5 m -113.8 143.76 44.12 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.713 2.405 . . . . 0.0 105.372 168.483 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -52.2 -53.71 40.0 Favored 'General case' 0 CA--C 1.561 1.377 1 N-CA-C 122.178 4.14 . . . . 0.0 122.178 -164.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -122.43 -48.16 2.08 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -168.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.57 -33.66 75.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 9' ' ' SER 0.266 4.8 tp10 -70.98 -59.94 2.51 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.943 -1.979 . . . . 0.0 115.354 -168.203 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.63 -39.74 92.37 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 122.125 2.239 . . . . 0.0 114.855 177.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.08 -29.32 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 166.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -69.31 -53.51 19.3 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 125.092 1.357 . . . . 0.0 111.587 166.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.0 -40.96 97.41 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.53 -38.98 89.4 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 178.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.263 34.4 ptt180 -62.78 -40.86 98.6 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 167.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.91 -52.53 49.16 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -141.95 107.09 4.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -168.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -177.788 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.492 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.69 125.56 9.79 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 164.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -149.71 107.25 3.28 Favored Pre-proline 0 CA--C 1.593 2.626 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 167.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.535 29.5 Cg_exo 60.32 -125.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.885 0 CA-C-N 127.044 3.552 . . . . 0.0 112.082 178.406 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 N--CA 1.492 1.655 0 O-C-N 124.726 1.266 . . . . 0.0 110.032 166.415 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p . . . . . 0 CA--C 1.574 1.873 1 N-CA-C 100.112 -4.033 . . . . 0.0 100.112 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.492 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.3 m-85 -85.68 -127.16 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.78 1.632 . . . . 0.0 109.087 -166.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -111.28 -95.48 0.43 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 101.6 -3.482 . . . . 0.0 101.6 169.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.451 14.5 ptp180 -141.74 -68.14 0.38 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 123.897 3.044 . . . . 0.0 114.019 -169.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -136.23 -28.21 1.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 177.227 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.45 -39.14 82.65 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 169.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.4 -58.67 3.7 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 116.437 -1.745 . . . . 0.0 114.802 -169.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -53.28 -43.12 67.24 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 121.594 1.997 . . . . 0.0 114.942 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.93 64.91 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 169.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -66.66 -54.85 18.79 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 120.307 1.412 . . . . 0.0 112.284 168.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.55 -44.67 81.71 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 115.749 -2.072 . . . . 0.0 115.359 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.93 -29.9 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.676 2.035 . . . . 0.0 115.308 174.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.86 -38.12 76.32 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.705 167.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.77 -54.04 18.31 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -142.08 107.11 4.93 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -168.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.509 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.487 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.0 125.7 8.98 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 163.343 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -139.34 107.9 7.3 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 166.068 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 38.1 Cg_exo 60.79 -109.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 CA-C-N 127.464 3.702 . . . . 0.0 111.446 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 CA--C 1.569 1.697 0 O-C-N 124.649 1.218 . . . . 0.0 110.121 166.388 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t . . . . . 0 CA--C 1.568 1.666 0 N-CA-C 104.095 -2.558 . . . . 0.0 104.095 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.487 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 97.0 m-85 -93.44 -117.2 0.09 Allowed 'General case' 0 CA--C 1.572 1.808 0 C-N-CA 125.176 1.391 . . . . 0.0 108.513 -167.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 57.4 m -130.16 -102.07 0.3 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.33 23.2 ptt-85 -149.53 87.18 1.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 123.34 2.791 . . . . 0.0 110.496 -168.28 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m 33.12 50.73 0.25 Allowed 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -177.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.75 -33.01 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.166 171.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -75.82 -59.3 2.81 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.36 -169.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -50.58 -43.01 56.31 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 122.313 2.324 . . . . 0.0 115.518 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -30.86 69.81 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 168.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.39 -54.24 18.53 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.711 1.204 . . . . 0.0 112.29 168.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.22 -40.02 90.03 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 114.945 -2.455 . . . . 0.0 116.113 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.74 -37.8 88.71 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 122.797 2.544 . . . . 0.0 116.468 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.43 -37.51 87.14 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 116.81 -1.567 . . . . 0.0 114.686 168.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.39 -53.95 24.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 169.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.42 107.51 4.95 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 -168.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -177.641 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -73.53 125.93 29.09 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.281 -0.887 . . . . 0.0 112.318 -168.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 37.4 t -149.88 106.43 3.23 Favored Pre-proline 0 CA--C 1.596 2.743 0 N-CA-C 101.016 -3.698 . . . . 0.0 101.016 167.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 33.4 Cg_exo 62.25 -136.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.792 0 CA-C-N 126.606 3.395 . . . . 0.0 112.889 -178.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.494 1.738 0 O-C-N 124.282 0.988 . . . . 0.0 110.871 166.981 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.2 m . . . . . 0 CA--C 1.579 2.086 1 N-CA-C 100.12 -4.03 . . . . 0.0 100.12 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.266 4.0 m-85 -77.8 -100.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.981 -166.756 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.261 8.1 t -141.1 -100.87 0.14 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.2 ptt85 -151.95 87.17 1.33 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 122.234 2.288 . . . . 0.0 109.861 -169.141 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.44 54.69 0.48 Allowed 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -174.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.92 -48.15 0.32 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 126.217 1.807 . . . . 0.0 110.381 173.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -61.2 -43.58 98.66 Favored 'General case' 0 CA--C 1.568 1.652 0 C-N-CA 126.699 2.0 . . . . 0.0 115.425 175.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.82 -50.68 73.07 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.466 1.484 . . . . 0.0 113.388 175.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.04 66.17 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 169.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -66.86 -57.07 7.72 Favored 'General case' 0 CA--C 1.576 1.962 0 CA-C-N 120.08 1.309 . . . . 0.0 112.281 169.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.51 -44.01 75.57 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 115.331 -2.271 . . . . 0.0 115.856 178.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.78 -37.89 76.52 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.438 2.381 . . . . 0.0 115.263 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -66.42 -36.08 81.91 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.62 -1.657 . . . . 0.0 114.404 167.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.78 -53.72 24.97 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 169.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.08 107.67 5.08 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 104.289 -2.485 . . . . 0.0 104.289 -168.652 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -177.528 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.512 2.637 0 CA-C-O 119.494 -0.288 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.64 128.88 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 129.609 3.164 . . . . 0.0 116.639 -167.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -155.31 107.44 2.24 Favored Pre-proline 0 CA--C 1.597 2.776 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 167.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.528 36.1 Cg_exo 64.36 -120.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 CA-C-N 126.962 3.522 . . . . 0.0 111.375 -177.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 CA--C 1.568 1.666 0 O-C-N 124.664 1.228 . . . . 0.0 109.815 166.688 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.559 1.327 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.57 -109.62 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.059 0 CA-C-O 117.096 -1.431 . . . . 0.0 107.197 -168.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -154.94 133.89 12.25 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.019 2.128 . . . . 0.0 105.549 172.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -33.58 92.63 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 N-CA-C 120.613 3.56 . . . . 0.0 120.613 -167.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t 45.06 58.39 4.09 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 174.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -145.48 -40.15 0.24 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 113.007 -1.906 . . . . 0.0 110.285 168.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.43 -48.46 72.67 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.171 1.788 . . . . 0.0 114.861 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.19 -47.84 77.54 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 121.368 1.895 . . . . 0.0 114.29 175.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -28.05 64.82 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 169.062 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.19 -56.32 9.15 Favored 'General case' 0 CA--C 1.578 2.023 0 CA-C-N 120.072 1.306 . . . . 0.0 112.113 169.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.4 -46.12 77.66 Favored 'General case' 0 CA--C 1.565 1.537 0 CA-C-O 115.551 -2.166 . . . . 0.0 115.517 177.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.2 -29.03 64.66 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 121.98 2.173 . . . . 0.0 115.493 176.215 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -69.83 -38.07 76.41 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.678 -1.63 . . . . 0.0 113.567 167.513 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -53.6 18.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 169.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -142.83 120.97 12.17 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -167.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.151 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.444 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.46 125.41 9.86 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 163.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -144.02 106.92 4.91 Favored Pre-proline 0 CA--C 1.595 2.676 0 N-CA-C 101.349 -3.574 . . . . 0.0 101.349 166.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.536 34.9 Cg_exo 63.38 -129.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.905 0 CA-C-N 126.562 3.379 . . . . 0.0 111.996 -177.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 N--CA 1.492 1.628 0 O-C-N 124.527 1.142 . . . . 0.0 109.725 166.715 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.25 19.0 m . . . . . 0 CA--C 1.579 2.071 1 N-CA-C 99.991 -4.077 . . . . 0.0 99.991 . . . . . . . . . 2 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 90.9 m-85 -80.37 -102.27 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.038 0 CA-C-O 116.744 -1.598 . . . . 0.0 109.48 -168.121 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 45.4 m -132.56 -93.65 0.35 Allowed 'General case' 0 C--N 1.359 1.015 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 173.141 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.522 3.4 ptm85 -135.62 -108.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 114.983 -2.437 . . . . 0.0 108.029 -168.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -126.96 72.39 1.36 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 123.17 2.714 . . . . 0.0 110.406 169.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.62 -38.18 0.2 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.706 2.002 . . . . 0.0 110.835 172.062 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -73.26 -47.68 41.05 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 115.431 -2.223 . . . . 0.0 114.845 -170.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.67 -41.72 98.15 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 122.553 2.433 . . . . 0.0 114.543 175.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.12 76.97 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 117.508 2.41 . . . . 0.0 117.508 168.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -69.63 -55.1 10.98 Favored 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 124.84 1.256 . . . . 0.0 111.491 167.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.17 -39.66 87.22 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 116.461 2.022 . . . . 0.0 116.461 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.17 -34.85 78.41 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 121.268 1.849 . . . . 0.0 115.489 170.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.58 -38.81 78.69 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 168.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.69 -51.98 35.9 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 173.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.85 -64.34 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.207 1.003 . . . . 0.0 112.659 -166.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 1.61 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -172.757 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.22 124.35 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 129.571 3.148 . . . . 0.0 116.09 -166.341 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 t -152.1 108.55 2.83 Favored Pre-proline 0 CA--C 1.596 2.725 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 169.076 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.524 37.8 Cg_exo 63.14 -113.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.817 0 CA-C-N 126.886 3.495 . . . . 0.0 111.115 -178.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p . . . . . 0 CA--C 1.569 1.69 0 O-C-N 124.652 1.22 . . . . 0.0 109.756 166.413 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 CA--C 1.567 1.616 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -79.51 -92.97 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 124.903 1.281 . . . . 0.0 109.197 -169.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 68.7 m -135.56 -100.46 0.22 Allowed 'General case' 0 C--N 1.358 0.936 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 172.096 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.437 9.2 ptp180 -145.95 -68.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 123.556 2.889 . . . . 0.0 113.912 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.0 p -130.09 -31.15 1.92 Allowed 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.34 -36.44 82.22 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 167.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.48 153.77 39.0 Favored 'General case' 0 CA--C 1.573 1.829 0 C-N-CA 124.902 1.281 . . . . 0.0 110.817 170.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.397 67.2 mt 79.72 -53.35 0.4 Allowed 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 125.978 1.711 . . . . 0.0 111.02 -166.382 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -32.83 69.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 167.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -70.14 -56.56 6.56 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.299 1.44 . . . . 0.0 110.345 165.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.36 -41.15 70.09 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 114.897 -2.478 . . . . 0.0 116.846 -174.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.81 -36.44 82.38 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-N 122.746 2.521 . . . . 0.0 115.657 -173.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -65.8 -36.2 82.85 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.671 -1.633 . . . . 0.0 114.667 167.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.97 -54.56 17.67 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -142.51 107.44 4.91 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -168.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.61 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.8 p90 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.63 120.95 22.53 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -169.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -110.57 102.76 52.82 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 100.542 -3.873 . . . . 0.0 100.542 174.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 33.9 Cg_exo 63.73 -99.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.71 0 CA-C-N 126.678 3.421 . . . . 0.0 110.514 -174.244 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.493 1.714 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.794 165.533 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t . . . . . 0 CA--C 1.56 1.339 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.26 -97.68 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 116.775 -1.583 . . . . 0.0 109.776 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 48.8 m -133.85 -101.4 0.25 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 102.92 -2.993 . . . . 0.0 102.92 172.544 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.325 10.9 ptm180 -151.11 87.13 1.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 122.518 2.417 . . . . 0.0 109.963 -169.116 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p 32.51 52.3 0.27 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -174.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.98 -28.91 0.78 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.783 -2.008 . . . . 0.0 112.959 170.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.0 -60.49 2.32 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 116.587 -1.673 . . . . 0.0 111.566 -173.005 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -43.02 -50.11 6.0 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.458 1.935 . . . . 0.0 115.417 174.479 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.66 68.55 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 118.294 2.702 . . . . 0.0 118.294 169.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -53.26 18.77 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 124.874 1.269 . . . . 0.0 112.068 168.187 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.68 -46.38 82.62 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 115.744 -2.074 . . . . 0.0 115.299 177.519 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.07 -6.61 23.66 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 173.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.65 -41.91 59.47 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 116.686 -1.626 . . . . 0.0 112.079 165.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.56 -50.76 34.08 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.228 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -128.1 107.15 9.57 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.209 1.003 . . . . 0.0 108.38 -169.093 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.273 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.213 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 126.65 9.87 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 165.059 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 t -132.71 96.54 18.31 Favored Pre-proline 0 CA--C 1.591 2.521 0 N-CA-C 100.709 -3.811 . . . . 0.0 100.709 166.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.512 48.4 Cg_exo 65.59 -95.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.733 0 CA-C-N 126.509 3.36 . . . . 0.0 111.582 -172.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 168.476 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m . . . . . 0 CA--C 1.585 2.294 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -121.99 -127.91 0.27 Allowed 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -167.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 m -110.84 -73.85 0.67 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 115.866 -2.016 . . . . 0.0 107.018 169.076 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.475 20.3 ptt-85 -149.85 -71.29 0.19 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 123.179 2.718 . . . . 0.0 112.948 178.172 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.2 t -136.35 -31.1 0.9 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.37 -34.58 61.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 169.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -77.42 -60.55 2.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.905 -169.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.91 -42.78 27.98 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.53 1.968 . . . . 0.0 115.328 177.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.29 64.21 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 168.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.59 -55.94 14.94 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-N 120.277 1.399 . . . . 0.0 112.068 168.51 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.07 -43.42 95.51 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 115.782 -2.056 . . . . 0.0 115.586 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.71 -32.65 65.9 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 121.604 2.002 . . . . 0.0 115.357 172.342 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -68.1 -38.58 82.48 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 116.797 -1.573 . . . . 0.0 113.932 168.025 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.87 -53.72 19.69 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 169.329 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -141.62 106.99 5.01 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 -168.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -177.514 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -72.25 127.02 31.27 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.57 0.623 . . . . 0.0 111.087 -171.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -127.72 105.38 20.9 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 167.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 32.3 Cg_exo 64.44 -114.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.881 0 CA-C-N 126.816 3.47 . . . . 0.0 110.79 -174.539 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.491 1.617 0 O-C-N 124.648 1.217 . . . . 0.0 109.88 166.184 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 CA--C 1.569 1.674 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.25 23.9 m-85 -75.14 -98.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.343 -166.116 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 m -136.77 -97.82 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 102.176 -3.268 . . . . 0.0 102.176 173.246 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.346 22.2 ptt-85 -149.92 82.56 1.39 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 122.177 2.262 . . . . 0.0 109.968 -170.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.289 7.9 t 61.84 -41.73 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -177.217 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.44 -29.39 35.18 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 174.238 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.23 -60.67 2.28 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 116.379 -1.772 . . . . 0.0 111.971 -174.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.08 -45.08 32.21 Favored 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 121.64 2.018 . . . . 0.0 115.873 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.23 69.12 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 167.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 3.5 ttmp? -68.85 -57.9 4.91 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 125.247 1.419 . . . . 0.0 111.651 167.701 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.98 -37.77 88.64 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 115.101 -2.38 . . . . 0.0 116.475 179.164 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.32 -37.88 84.87 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 122.622 2.465 . . . . 0.0 116.796 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.48 -38.06 88.67 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.683 169.138 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.02 -53.46 31.09 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 169.512 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.1 107.7 5.08 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 -168.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -177.64 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.499 1.997 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.476 ' H ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER 35.17 103.69 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 129.191 2.996 . . . . 0.0 113.122 -164.344 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.07 100.65 14.15 Favored Pre-proline 0 CA--C 1.592 2.573 0 N-CA-C 100.801 -3.777 . . . . 0.0 100.801 -172.536 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 31.7 Cg_exo 62.75 -102.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.736 0 CA-C-N 126.704 3.43 . . . . 0.0 110.41 -174.001 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p . . . . . 0 CA--C 1.57 1.719 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.807 165.934 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.476 ' HA ' ' H ' ' A' ' 2' ' ' THR . 11.0 t . . . . . 0 CA--C 1.563 1.464 0 N-CA-C 101.462 -3.532 . . . . 0.0 101.462 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.15 -95.4 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.973 0 CA-C-O 116.832 -1.556 . . . . 0.0 110.2 -166.509 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 49.9 m -136.71 -95.7 0.22 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 170.829 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.441 26.2 ptt180 -139.56 -65.58 0.47 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 122.18 2.264 . . . . 0.0 113.776 -169.259 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -139.06 -29.72 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 175.802 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.56 -35.77 74.9 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 170.049 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -74.18 -57.44 3.95 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 116.685 -1.626 . . . . 0.0 113.86 -169.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.83 -39.22 58.45 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.109 1.777 . . . . 0.0 115.356 176.208 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.46 59.82 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 168.035 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -64.94 -57.01 9.87 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 120.488 1.494 . . . . 0.0 111.989 168.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.29 -44.38 71.92 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 115.485 -2.198 . . . . 0.0 115.261 -178.342 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 -28.08 60.96 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 121.943 2.156 . . . . 0.0 115.032 177.1 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -70.82 -37.75 73.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 116.527 -1.701 . . . . 0.0 113.381 167.19 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.9 -53.88 15.97 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -142.62 121.01 12.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -167.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.243 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . 0.459 ' HB2' ' H ' ' A' ' 8' ' ' PHE . 90.4 m-85 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.04 0.447 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.87 123.19 9.61 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 162.164 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.79 95.42 6.32 Favored Pre-proline 0 CA--C 1.59 2.504 0 N-CA-C 100.504 -3.887 . . . . 0.0 100.504 169.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 36.3 Cg_exo 63.73 -122.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.763 0 CA-C-N 126.415 3.327 . . . . 0.0 111.207 -172.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 165.872 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 CA--C 1.588 2.417 1 N-CA-C 98.379 -4.674 . . . . 0.0 98.379 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.459 ' H ' ' HB2' ' A' ' 1' ' ' TYR 0.254 83.0 m-85 -79.98 -122.07 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 117.449 -1.263 . . . . 0.0 108.367 -165.755 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.312 43.1 m -111.48 -107.23 0.36 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 167.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.251 6.3 mmm180 -135.03 -60.98 0.76 Allowed 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.977 -1.487 . . . . 0.0 114.809 -164.122 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -139.04 -28.68 0.79 Allowed 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 171.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -40.95 88.21 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.222 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.79 -49.41 30.72 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 116.361 -1.781 . . . . 0.0 115.225 -169.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.38 -38.99 78.43 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.078 1.763 . . . . 0.0 115.064 176.849 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.87 58.66 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 168.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 121.059 1.754 . . . . 0.0 113.715 169.254 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.46 -44.68 61.99 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 115.637 -2.125 . . . . 0.0 114.742 -175.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.61 -17.48 62.89 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.654 2.024 . . . . 0.0 115.969 171.701 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -72.93 -45.86 55.77 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 116.851 -1.547 . . . . 0.0 112.696 167.248 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.15 -55.84 5.93 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 173.295 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -140.05 117.3 11.28 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -167.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.603 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.2 p90 . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.56 119.48 20.45 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -169.799 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.95 103.05 54.24 Favored Pre-proline 0 CA--C 1.592 2.57 0 N-CA-C 100.583 -3.858 . . . . 0.0 100.583 173.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.4 Cg_exo 64.16 -103.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.821 0 CA-C-N 126.466 3.345 . . . . 0.0 110.301 -173.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 CA--C 1.569 1.689 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.684 165.956 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 CA--C 1.563 1.468 0 N-CA-C 104.092 -2.558 . . . . 0.0 104.092 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.77 -95.91 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.763 -167.507 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 50.3 m -130.14 -90.15 0.47 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 169.807 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.459 8.9 ptp180 -136.72 -69.28 0.47 Allowed 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 121.89 2.132 . . . . 0.0 112.281 -171.187 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 t -138.12 -32.91 0.71 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 172.128 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.83 -28.96 38.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 173.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -79.26 -64.53 1.16 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 116.349 -1.786 . . . . 0.0 112.446 -168.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -50.03 -42.38 49.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 121.684 2.038 . . . . 0.0 115.536 177.103 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.9 71.55 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 167.754 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.32 -57.33 5.45 Favored 'General case' 0 CA--C 1.583 2.221 0 C-N-CA 125.194 1.398 . . . . 0.0 111.222 167.305 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.29 -35.26 80.47 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 114.688 -2.577 . . . . 0.0 116.468 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.82 -38.61 91.73 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 123.18 2.718 . . . . 0.0 116.621 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -65.13 -38.11 89.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 116.803 -1.57 . . . . 0.0 114.776 169.296 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.16 -53.39 30.99 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 169.438 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.09 107.54 5.04 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 -168.643 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -177.734 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.427 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -155.2 162.42 40.94 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 126.186 2.179 . . . . 0.0 107.667 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.74 125.54 9.06 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 105.588 -2.005 . . . . 0.0 105.588 164.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.7 t -148.09 106.88 3.64 Favored Pre-proline 0 CA--C 1.592 2.562 0 N-CA-C 102.126 -3.287 . . . . 0.0 102.126 167.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 35.2 Cg_exo 60.84 -122.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.936 0 CA-C-N 126.997 3.535 . . . . 0.0 111.796 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.6 p -104.74 64.28 0.73 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.724 1.265 . . . . 0.0 109.74 166.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -102.42 102.67 13.01 Favored 'General case' 0 CA--C 1.57 1.731 0 N-CA-C 101.314 -3.587 . . . . 0.0 101.314 166.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.427 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.1 m-85 -83.87 -124.52 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.794 1.637 . . . . 0.0 109.156 -167.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -111.6 -95.22 0.43 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 101.704 -3.443 . . . . 0.0 101.704 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.444 0.0 OUTLIER -141.6 -67.29 0.4 Allowed 'General case' 0 N--CA 1.5 2.027 0 CA-C-N 123.747 2.976 . . . . 0.0 114.141 -169.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.1 p -136.98 -28.7 0.94 Allowed 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -60.75 -37.32 81.41 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.19 -58.11 4.16 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.601 -169.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -52.52 -42.74 64.61 Favored 'General case' 0 N--CA 1.503 2.21 0 CA-C-N 121.607 2.003 . . . . 0.0 114.976 176.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.86 -30.24 65.23 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 169.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -67.22 -54.71 18.52 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-N 120.196 1.362 . . . . 0.0 112.265 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.39 -44.62 82.54 Favored 'General case' 0 CA--C 1.564 1.5 0 CA-C-O 115.75 -2.071 . . . . 0.0 115.33 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -73.15 -29.69 63.06 Favored 'General case' 0 N--CA 1.498 1.945 0 CA-C-N 121.669 2.031 . . . . 0.0 115.314 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -70.14 -38.09 75.41 Favored 'General case' 0 N--CA 1.504 2.27 0 CA-C-O 116.575 -1.678 . . . . 0.0 113.531 167.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.89 -54.23 16.71 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-N 120.606 1.548 . . . . 0.0 114.935 169.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.07 106.92 4.89 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 104.084 -2.561 . . . . 0.0 104.084 -168.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.9 -43.81 28.96 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.41 89.32 0.08 OUTLIER Glycine 0 C--N 1.353 1.495 0 CA-C-N 119.687 1.13 . . . . 0.0 110.566 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 120.876 -1.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.93 147.16 11.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 116.431 -3.918 . . . . 0.0 110.099 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.01 124.77 9.11 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 165.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.4 t -148.89 106.57 3.43 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.366 -3.568 . . . . 0.0 101.366 167.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.533 32.3 Cg_exo 62.59 -132.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.844 0 CA-C-N 126.425 3.33 . . . . 0.0 112.374 -178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -97.53 62.2 1.68 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 166.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.264 15.4 m -103.69 96.42 6.7 Favored 'General case' 0 CA--C 1.583 2.245 1 N-CA-C 99.59 -4.226 . . . . 0.0 99.59 166.031 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.254 0.9 OUTLIER -82.77 -99.73 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.076 0 CA-C-O 116.93 -1.509 . . . . 0.0 109.573 -167.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.258 67.6 m -131.3 -109.68 0.25 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 103.252 -2.87 . . . . 0.0 103.252 173.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.279 40.2 ptt85 -163.82 107.54 0.98 Allowed 'General case' 0 C--N 1.37 1.494 0 CA-C-N 123.78 2.991 . . . . 0.0 111.079 -171.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.5 p 35.44 46.34 0.27 Allowed 'General case' 0 N--CA 1.51 2.53 0 N-CA-C 119.844 3.276 . . . . 0.0 119.844 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -153.55 -45.6 0.09 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 127.225 2.21 . . . . 0.0 108.65 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.275 4.7 tp10 -67.59 -47.68 69.03 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 127.931 2.492 . . . . 0.0 115.821 -175.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -55.56 -50.17 70.76 Favored 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 120.94 1.7 . . . . 0.0 114.35 170.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 118.09 2.626 . . . . 0.0 118.09 169.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -67.12 -52.53 40.65 Favored 'General case' 0 CA--C 1.58 2.114 0 C-N-CA 124.972 1.309 . . . . 0.0 111.859 168.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.3 mt -65.72 -49.12 69.62 Favored 'General case' 0 CA--C 1.561 1.392 0 CA-C-O 116.02 -1.943 . . . . 0.0 115.869 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.67 -29.7 67.21 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 121.115 1.78 . . . . 0.0 115.37 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -68.99 -37.46 78.75 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 116.57 -1.681 . . . . 0.0 113.563 167.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.27 -53.59 18.98 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 169.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -143.26 121.0 11.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -168.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.13 93.94 3.16 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 176.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.84 177.95 49.18 Favored Glycine 0 N--CA 1.481 1.654 0 CA-C-O 123.658 1.699 . . . . 0.0 113.658 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 O-C-N 120.677 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.289 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -133.27 97.97 4.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 125.24 1.587 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.34 120.77 22.83 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 -169.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -111.93 109.67 54.82 Favored Pre-proline 0 CA--C 1.594 2.646 0 N-CA-C 101.005 -3.702 . . . . 0.0 101.005 170.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 62.0 Cg_endo 52.09 -102.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.772 0 C-N-CA 124.431 3.421 . . . . 0.0 113.202 -170.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -121.17 66.62 0.87 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.116 167.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -98.34 94.5 6.78 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 103.598 -2.742 . . . . 0.0 103.598 167.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -77.84 -99.28 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 CA-C-O 116.951 -1.499 . . . . 0.0 109.809 -167.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.0 m -133.54 -98.37 0.27 Allowed 'General case' 0 C--N 1.357 0.895 0 N-CA-C 101.892 -3.373 . . . . 0.0 101.892 170.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.338 10.9 ptm180 -150.69 83.98 1.35 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-N 122.174 2.261 . . . . 0.0 109.89 -169.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.277 78.6 p 61.31 -38.6 0.11 Allowed 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 119.557 3.169 . . . . 0.0 119.557 -177.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -58.21 -31.49 67.39 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 118.211 2.671 . . . . 0.0 118.211 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -75.68 -61.44 1.92 Allowed 'General case' 0 CA--C 1.569 1.682 0 CA-C-O 116.714 -1.612 . . . . 0.0 111.972 -175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -44.07 -50.9 8.28 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 121.427 1.921 . . . . 0.0 115.136 174.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -32.15 73.65 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -67.01 -54.74 18.75 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.144 1.377 . . . . 0.0 112.465 168.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.66 -46.43 89.77 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-O 115.771 -2.061 . . . . 0.0 115.278 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.49 -18.73 65.17 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-N 121.558 1.981 . . . . 0.0 116.257 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -72.32 -45.31 60.51 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-O 116.915 -1.517 . . . . 0.0 113.058 166.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -71.12 -54.41 11.16 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -140.71 119.38 12.42 Favored 'General case' 0 N--CA 1.484 1.264 0 N-CA-C 106.347 -1.723 . . . . 0.0 106.347 -167.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.32 -43.97 2.16 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.61 89.38 0.07 OUTLIER Glycine 0 C--N 1.354 1.55 0 CA-C-N 119.876 1.216 . . . . 0.0 110.551 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 120.868 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.245 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.52 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -150.27 60.41 0.97 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 125.575 1.797 . . . . 0.0 111.191 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.34 113.09 8.02 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 118.8 -2.438 . . . . 0.0 109.761 -166.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.2 t -106.02 109.63 63.33 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 101.242 -3.614 . . . . 0.0 101.242 170.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 55.6 Cg_endo 54.53 -100.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.839 0 CA-C-N 126.518 3.363 . . . . 0.0 112.965 -169.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -125.17 61.71 1.19 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 123.986 0.914 . . . . 0.0 110.847 167.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.6 p -93.09 123.72 36.55 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 106.488 -1.671 . . . . 0.0 106.488 169.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.52 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 0.3 OUTLIER -124.67 -126.95 0.25 Allowed 'General case' 0 CA--C 1.59 2.482 0 N-CA-C 105.172 -2.158 . . . . 0.0 105.172 -176.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.7 m -120.03 142.14 49.1 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -64.59 -62.16 1.76 Allowed 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 117.653 2.464 . . . . 0.0 117.653 -164.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -124.36 68.11 1.07 Allowed 'General case' 0 N--CA 1.503 2.216 0 CA-C-N 121.58 1.991 . . . . 0.0 115.027 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.04 -41.94 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 C-N-CA 127.69 2.396 . . . . 0.0 109.906 169.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.265 13.2 tp10 -70.51 -52.41 22.08 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 127.431 2.292 . . . . 0.0 115.698 -169.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -65.63 -41.92 92.08 Favored 'General case' 0 N--CA 1.503 2.218 0 CA-C-N 121.294 1.861 . . . . 0.0 114.363 175.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.33 -23.15 67.29 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 117.111 2.263 . . . . 0.0 117.111 166.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.272 86.1 tttt -68.48 -57.75 5.35 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 125.355 1.462 . . . . 0.0 111.307 168.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -66.66 -43.34 84.84 Favored 'General case' 0 CA--C 1.563 1.476 0 CA-C-O 115.731 -2.08 . . . . 0.0 116.29 175.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.12 -34.48 22.24 Favored 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 117.854 2.539 . . . . 0.0 117.854 -173.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.82 -41.28 87.73 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 116.696 -1.621 . . . . 0.0 114.267 169.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.46 -51.28 24.64 Favored 'General case' 0 N--CA 1.499 1.983 0 CA-C-N 120.437 1.471 . . . . 0.0 113.981 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.7 m-70 -141.84 119.16 11.49 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -168.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.43 94.16 3.07 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.71 89.23 0.07 OUTLIER Glycine 0 N--CA 1.475 1.237 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.553 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.937 -1.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -132.35 96.57 3.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 125.239 1.587 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.48 126.55 31.23 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -169.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -123.83 103.38 34.1 Favored Pre-proline 0 CA--C 1.593 2.596 0 N-CA-C 100.55 -3.871 . . . . 0.0 100.55 174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 32.3 Cg_exo 64.18 -105.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.794 0 CA-C-N 126.53 3.368 . . . . 0.0 110.472 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -122.54 63.66 0.96 Allowed 'General case' 0 CA--C 1.57 1.713 0 O-C-N 124.6 1.187 . . . . 0.0 109.754 166.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -98.29 91.46 5.24 Favored 'General case' 0 CA--C 1.565 1.535 0 N-CA-C 103.587 -2.745 . . . . 0.0 103.587 167.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 13.6 m-85 -74.42 -93.3 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 116.726 -1.607 . . . . 0.0 110.88 -166.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.273 15.1 t -138.68 -101.13 0.17 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 102.713 -3.069 . . . . 0.0 102.713 170.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.0 ptt85 -150.89 85.65 1.36 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.282 2.31 . . . . 0.0 109.702 -169.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t 31.62 51.58 0.17 Allowed 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 -172.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -135.97 -30.54 0.96 Allowed 'General case' 0 N--CA 1.496 1.839 0 CA-C-N 113.0 -1.909 . . . . 0.0 112.798 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -79.84 -57.45 3.65 Favored 'General case' 0 CA--C 1.564 1.503 0 CA-C-O 116.521 -1.704 . . . . 0.0 111.756 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -41.83 -49.12 4.44 Favored 'General case' 0 N--CA 1.506 2.338 0 CA-C-N 121.709 2.049 . . . . 0.0 115.36 171.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.39 -29.09 66.77 Favored 'General case' 0 N--CA 1.485 1.301 0 N-CA-C 118.132 2.642 . . . . 0.0 118.132 169.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -67.69 -55.26 13.91 Favored 'General case' 0 CA--C 1.582 2.188 0 C-N-CA 124.879 1.272 . . . . 0.0 112.019 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -66.77 -47.8 71.05 Favored 'General case' 0 CA--C 1.564 1.519 0 CA-C-O 115.684 -2.103 . . . . 0.0 114.941 178.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -70.71 -30.48 67.04 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 121.825 2.102 . . . . 0.0 115.307 176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.35 -36.62 77.05 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 116.843 -1.551 . . . . 0.0 113.544 166.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.6 -52.73 23.41 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 170.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.2 m-70 -132.91 -52.33 0.91 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 -167.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.46 102.34 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 C-N-CA 126.69 1.996 . . . . 0.0 114.063 -174.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.26 89.57 0.08 OUTLIER Glycine 0 N--CA 1.473 1.162 0 O-C-N 124.529 1.143 . . . . 0.0 110.531 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 120.907 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.262 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.46 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -146.91 167.16 24.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 125.88 1.988 . . . . 0.0 109.404 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.49 124.98 8.9 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 104.899 -2.259 . . . . 0.0 104.899 162.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t -144.74 110.15 4.82 Favored Pre-proline 0 CA--C 1.591 2.524 0 CA-C-O 113.427 -3.178 . . . . 0.0 104.106 167.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.41 22.3 Cg_exo 45.59 52.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.901 0 CA-C-N 127.827 3.831 . . . . 0.0 117.692 174.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.29 62.8 p 52.94 49.03 21.1 Favored 'General case' 0 N--CA 1.504 2.228 0 C-N-CA 126.094 1.758 . . . . 0.0 115.719 -165.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.6 t -93.51 112.17 24.01 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 170.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.46 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 49.3 m-85 -98.0 -112.29 0.16 Allowed 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 -171.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -147.32 137.56 23.24 Favored 'General case' 0 C--N 1.36 1.06 0 C-N-CA 126.756 2.023 . . . . 0.0 106.052 170.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -34.14 93.44 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.2 0 N-CA-C 121.155 3.761 . . . . 0.0 121.155 -167.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p 41.3 56.94 3.03 Favored 'General case' 0 N--CA 1.51 2.544 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -141.51 -37.39 0.42 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-N 112.563 -2.108 . . . . 0.0 110.536 168.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -70.21 -53.29 17.69 Favored 'General case' 0 CA--C 1.564 1.505 0 CA-C-O 116.336 -1.792 . . . . 0.0 114.159 -171.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.13 -45.21 68.24 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-N 121.784 2.084 . . . . 0.0 114.624 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.26 -28.73 64.37 Favored 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 118.343 2.72 . . . . 0.0 118.343 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.13 -54.76 15.76 Favored 'General case' 0 CA--C 1.577 2.013 0 CA-C-N 120.179 1.354 . . . . 0.0 112.21 169.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -67.32 -45.47 76.35 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 115.543 -2.17 . . . . 0.0 115.302 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.6 mp -68.94 -26.63 65.17 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 121.987 2.176 . . . . 0.0 116.218 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.26 -38.06 71.91 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.607 1.548 . . . . 0.0 114.965 166.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.56 -54.86 12.05 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -141.76 106.38 4.87 Favored 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 104.141 -2.54 . . . . 0.0 104.141 -168.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -43.98 26.0 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -87.33 -177.25 48.66 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 123.704 1.725 . . . . 0.0 113.417 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.718 0 O-C-N 120.531 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -146.69 164.01 34.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 126.018 2.073 . . . . 0.0 109.151 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -149.75 126.59 11.11 Favored 'General case' 0 CA--C 1.551 1.007 0 N-CA-C 105.369 -2.085 . . . . 0.0 105.369 163.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 t -135.93 90.07 19.65 Favored Pre-proline 0 CA--C 1.593 2.62 0 N-CA-C 100.408 -3.923 . . . . 0.0 100.408 166.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.428 57.1 Cg_endo 44.61 63.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 C-N-CA 124.893 3.728 . . . . 0.0 116.588 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.292 59.3 p 59.27 16.37 4.93 Favored 'General case' 0 CA--C 1.581 2.154 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 -166.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -86.41 135.05 33.64 Favored 'General case' 0 CA--C 1.574 1.897 0 CA-C-N 113.692 -1.595 . . . . 0.0 107.394 168.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -124.27 -127.96 0.25 Allowed 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 104.106 -2.553 . . . . 0.0 104.106 -168.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -139.03 124.28 19.12 Favored 'General case' 0 N--CA 1.473 0.708 1 N-CA-C 99.54 -4.244 . . . . 0.0 99.54 166.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.469 20.1 ptt-85 -22.14 -50.15 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.108 1 N-CA-C 124.891 5.145 . . . . 0.0 124.891 -160.894 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -131.16 -42.59 1.08 Allowed 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 118.327 2.714 . . . . 0.0 118.327 -172.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.96 -31.66 73.01 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 116.775 2.139 . . . . 0.0 116.775 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.04 -63.7 1.09 Allowed 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.577 -1.678 . . . . 0.0 113.801 -169.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.26 6.9 tt -52.0 -43.26 63.56 Favored 'General case' 0 N--CA 1.501 2.076 0 CA-C-N 121.272 1.851 . . . . 0.0 114.883 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.3 69.35 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.842 2.534 . . . . 0.0 117.842 167.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.98 -54.09 17.13 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 124.751 1.22 . . . . 0.0 111.931 168.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.13 -40.63 78.16 Favored 'General case' 0 CA--C 1.558 1.28 0 CA-C-O 114.742 -2.552 . . . . 0.0 116.006 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.7 mt -66.22 -38.39 87.83 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-N 123.205 2.73 . . . . 0.0 115.813 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.26 42.7 ptt85 -62.78 -40.42 97.26 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 167.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.81 -53.58 31.37 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 115.432 1.642 . . . . 0.0 115.432 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.31 106.86 4.82 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 104.068 -2.567 . . . . 0.0 104.068 -168.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 -44.35 24.75 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.17 87.39 1.33 Allowed Glycine 0 C--N 1.356 1.653 0 CA-C-N 119.79 1.177 . . . . 0.0 111.091 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 120.847 -1.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.462 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -145.21 167.3 23.14 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 125.973 2.046 . . . . 0.0 109.794 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.31 125.66 9.41 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 162.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.1 t -137.59 106.91 8.39 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 102.374 -3.195 . . . . 0.0 102.374 166.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 38.5 Cg_exo 61.18 -107.36 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.874 0 CA-C-N 127.566 3.738 . . . . 0.0 111.266 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.1 p -119.98 62.14 0.84 Allowed 'General case' 0 CA--C 1.569 1.673 0 O-C-N 124.568 1.167 . . . . 0.0 110.416 166.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -96.58 114.13 25.75 Favored 'General case' 0 CA--C 1.567 1.6 0 N-CA-C 105.064 -2.199 . . . . 0.0 105.064 168.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.462 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.3 m-85 -95.48 -113.82 0.12 Allowed 'General case' 0 CA--C 1.571 1.777 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 -169.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -150.74 116.57 5.53 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 105.035 -2.209 . . . . 0.0 105.035 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 23.74 67.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.878 0 N-CA-C 120.482 3.512 . . . . 0.0 120.482 168.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 7.9 t 64.18 -40.75 0.24 Allowed 'General case' 0 N--CA 1.513 2.692 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 173.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -48.32 -24.25 1.15 Allowed 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 119.944 3.312 . . . . 0.0 119.944 170.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -87.1 -64.79 1.09 Allowed 'General case' 0 N--CA 1.483 1.223 0 CA-C-O 115.084 -2.389 . . . . 0.0 111.314 -168.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 tp -56.7 -32.19 65.23 Favored 'General case' 0 N--CA 1.503 2.184 0 CA-C-N 123.229 2.74 . . . . 0.0 116.053 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.88 -29.84 68.21 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 166.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.258 86.3 tttt -72.05 -60.07 2.42 Favored 'General case' 0 CA--C 1.583 2.213 0 C-N-CA 125.605 1.562 . . . . 0.0 110.647 167.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -53.04 -40.94 64.31 Favored 'General case' 0 CA--C 1.568 1.659 0 N-CA-C 116.759 2.133 . . . . 0.0 116.759 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.9 mt -63.99 -34.97 79.21 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 121.193 1.815 . . . . 0.0 115.718 171.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -60.23 -43.25 96.2 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 169.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -72.25 -54.13 10.48 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 169.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -141.27 120.59 13.07 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -167.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.24 -44.48 2.15 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.05 87.16 1.33 Allowed Glycine 0 C--N 1.357 1.724 0 CA-C-N 119.936 1.243 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 120.898 -1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 46.6 p90 -82.78 -161.67 0.51 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 125.989 2.056 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.28 133.62 15.37 Favored 'General case' 0 C--N 1.358 0.964 0 CA-C-N 121.29 1.859 . . . . 0.0 106.653 168.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -124.06 105.29 31.89 Favored Pre-proline 0 CA--C 1.591 2.55 0 N-CA-C 102.059 -3.311 . . . . 0.0 102.059 167.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.5 Cg_exo 64.01 -103.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.886 0 CA-C-N 126.92 3.507 . . . . 0.0 110.218 -174.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.5 p -124.2 63.19 1.09 Allowed 'General case' 0 CA--C 1.568 1.669 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.79 166.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.7 t -92.35 112.74 24.8 Favored 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 106.295 -1.743 . . . . 0.0 106.295 169.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.271 13.5 m-85 -100.45 -104.7 0.24 Allowed 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 -175.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -142.27 124.67 15.65 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 121.575 1.988 . . . . 0.0 106.585 168.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 mtm105 -21.01 91.16 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.402 0 N-CA-C 120.054 3.353 . . . . 0.0 120.054 -168.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.282 14.5 m 66.42 -36.32 0.25 Allowed 'General case' 0 N--CA 1.507 2.421 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 178.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -46.49 -31.66 2.86 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 119.445 3.128 . . . . 0.0 119.445 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -87.59 -47.88 8.35 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 115.411 -2.233 . . . . 0.0 113.748 -169.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tp -65.28 -34.65 78.84 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 122.32 2.327 . . . . 0.0 115.138 -179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.17 95.78 Favored 'General case' 0 CA--C 1.561 1.392 0 N-CA-C 116.615 2.079 . . . . 0.0 116.615 167.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -65.26 -43.13 92.29 Favored 'General case' 0 CA--C 1.577 2.011 0 C-N-CA 125.897 1.679 . . . . 0.0 113.376 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.91 -41.57 59.46 Favored 'General case' 0 CA--C 1.555 1.151 0 CA-C-O 115.56 -2.162 . . . . 0.0 115.056 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.61 -36.61 81.23 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-N 121.891 2.132 . . . . 0.0 116.351 -175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.03 -36.12 81.41 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 116.607 -1.663 . . . . 0.0 114.419 167.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.43 -53.64 27.34 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 169.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -142.87 107.55 4.85 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 104.211 -2.515 . . . . 0.0 104.211 -168.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.74 -43.74 29.94 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.08 -179.94 47.74 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-O 123.724 1.736 . . . . 0.0 113.68 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.64 0 O-C-N 120.695 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.319 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.4 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -148.28 163.54 36.74 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 125.858 1.974 . . . . 0.0 110.092 . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.87 127.72 9.57 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 105.917 -1.882 . . . . 0.0 105.917 164.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.05 105.67 5.69 Favored Pre-proline 0 CA--C 1.592 2.572 0 N-CA-C 102.815 -3.031 . . . . 0.0 102.815 166.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.523 34.2 Cg_exo 61.7 -110.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.932 0 CA-C-N 127.386 3.674 . . . . 0.0 111.312 -178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.6 p -115.27 58.07 0.72 Allowed 'General case' 0 CA--C 1.571 1.754 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 166.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 54.9 m -98.31 120.54 38.9 Favored 'General case' 0 CA--C 1.576 1.943 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 168.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.4 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 76.8 m-85 -102.1 -124.74 0.19 Allowed 'General case' 0 CA--C 1.571 1.767 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -168.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 75.3 m -130.33 -110.83 0.26 Allowed 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 104.032 -2.581 . . . . 0.0 104.032 173.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.341 14.7 ptp180 -139.66 78.49 1.67 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 122.788 2.54 . . . . 0.0 109.837 -169.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.1 m 19.38 50.49 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.109 1 N-CA-C 122.144 4.127 . . . . 0.0 122.144 -170.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -112.78 -35.96 5.31 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 112.704 -2.044 . . . . 0.0 109.166 165.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.251 12.1 pt-20 -81.51 -64.32 1.21 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 126.163 1.785 . . . . 0.0 113.018 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.44 -45.66 56.02 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.57 68.97 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 117.706 2.484 . . . . 0.0 117.706 168.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.92 -51.56 25.29 Favored 'General case' 0 CA--C 1.577 1.998 0 CA-C-O 117.047 -1.454 . . . . 0.0 111.747 168.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.92 -45.19 93.36 Favored 'General case' 0 CA--C 1.564 1.502 0 CA-C-O 115.455 -2.212 . . . . 0.0 116.497 175.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.12 -37.51 85.89 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 122.194 2.27 . . . . 0.0 116.186 177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -65.55 -36.77 84.78 Favored 'General case' 0 N--CA 1.504 2.233 0 CA-C-O 116.695 -1.622 . . . . 0.0 114.623 168.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.68 -54.55 15.6 Favored 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 120.415 1.462 . . . . 0.0 114.865 169.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -143.65 107.94 4.78 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 -168.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.11 -43.4 21.76 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.179 1.918 . . . . 0.0 116.179 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.18 89.26 1.39 Allowed Glycine 0 C--N 1.357 1.743 0 CA-C-N 119.753 1.161 . . . . 0.0 110.744 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.52 0 O-C-N 120.964 -1.315 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -149.08 161.63 41.57 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 126.134 2.146 . . . . 0.0 108.882 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.68 125.78 9.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 164.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t -137.97 105.87 8.1 Favored Pre-proline 0 CA--C 1.59 2.519 0 N-CA-C 102.524 -3.139 . . . . 0.0 102.524 166.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 31.4 Cg_exo 63.15 -109.97 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.928 0 CA-C-N 126.989 3.532 . . . . 0.0 110.854 -177.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.8 p -116.63 57.4 0.78 Allowed 'General case' 0 CA--C 1.57 1.733 0 O-C-N 124.575 1.172 . . . . 0.0 110.709 166.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.6 m -93.6 137.35 32.96 Favored 'General case' 0 CA--C 1.583 2.245 0 CA-C-N 110.611 -2.995 . . . . 0.0 104.754 167.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -122.22 -119.59 0.29 Allowed 'General case' 0 CA--C 1.57 1.739 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.043 -168.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -115.54 -78.52 0.58 Allowed 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 115.919 -1.991 . . . . 0.0 107.0 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.467 20.7 ptt-85 -151.0 -71.73 0.17 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 123.045 2.657 . . . . 0.0 112.418 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.9 p -136.95 -30.7 0.86 Allowed 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.8 -26.61 47.04 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.648 2.833 . . . . 0.0 118.648 170.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -80.22 -64.12 1.26 Allowed 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 115.813 -2.042 . . . . 0.0 112.008 -170.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -56.91 -37.78 71.94 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-N 122.458 2.39 . . . . 0.0 115.659 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -29.48 69.87 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.892 2.182 . . . . 0.0 116.892 166.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.8 -57.3 5.26 Favored 'General case' 0 CA--C 1.582 2.21 0 C-N-CA 125.037 1.335 . . . . 0.0 111.01 167.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -63.53 -36.76 84.86 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-O 115.258 -2.306 . . . . 0.0 116.718 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -59.19 -36.38 75.25 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.366 2.348 . . . . 0.0 117.182 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -64.47 -39.35 93.65 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.909 169.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.22 -53.45 19.86 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -143.43 119.67 10.84 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -167.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.65 -43.93 2.25 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.96 88.45 1.42 Allowed Glycine 0 C--N 1.357 1.702 0 CA-C-N 119.9 1.227 . . . . 0.0 111.045 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 120.935 -1.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.415 ' H1 ' ' O ' ' A' ' 9' ' ' SER . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 1.3 t80 -160.83 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.509 2.516 1 O-C-N 116.145 -4.097 . . . . 0.0 114.468 . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.4 p 25.92 118.09 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 119.29 3.07 . . . . 0.0 119.29 -167.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.1 t -140.81 106.54 6.34 Favored Pre-proline 0 CA--C 1.595 2.707 0 N-CA-C 100.947 -3.723 . . . . 0.0 100.947 166.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 31.5 Cg_exo 64.5 -119.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.897 0 CA-C-N 126.791 3.461 . . . . 0.0 111.342 -176.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -111.68 63.96 0.62 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 124.625 1.203 . . . . 0.0 110.432 167.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.6 m -102.28 101.06 11.3 Favored 'General case' 0 CA--C 1.575 1.917 0 N-CA-C 100.656 -3.831 . . . . 0.0 100.656 167.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.407 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 80.4 m-85 -82.72 -109.33 0.03 OUTLIER 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 116.941 -1.504 . . . . 0.0 109.38 -167.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' H1 ' ' A' ' 0' ' ' ACE 0.25 48.7 m -131.75 -101.95 0.28 Allowed 'General case' 0 C--N 1.359 0.994 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 174.308 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.327 36.0 ptt180 -152.28 88.95 1.4 Allowed 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 122.973 2.624 . . . . 0.0 110.128 -168.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.13 50.69 0.25 Allowed 'General case' 0 N--CA 1.511 2.594 0 N-CA-C 119.208 3.04 . . . . 0.0 119.208 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -138.04 -42.57 0.52 Allowed 'General case' 0 N--CA 1.492 1.659 0 CA-C-N 113.038 -1.892 . . . . 0.0 110.583 169.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -64.3 -39.02 93.07 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 115.735 -2.079 . . . . 0.0 116.135 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.7 tp -63.81 -48.74 75.62 Favored 'General case' 0 N--CA 1.499 1.979 0 CA-C-N 121.849 2.113 . . . . 0.0 113.842 174.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.01 -32.13 72.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 169.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -66.65 -52.68 42.26 Favored 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 124.729 1.211 . . . . 0.0 111.841 167.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.57 -41.3 76.02 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 115.207 -2.33 . . . . 0.0 116.103 -176.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.5 mt -64.13 -37.26 86.8 Favored 'General case' 0 N--CA 1.505 2.318 0 CA-C-N 122.269 2.304 . . . . 0.0 116.186 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -65.96 -36.64 83.89 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.643 -1.646 . . . . 0.0 114.549 168.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.72 -53.88 23.88 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 169.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.6 107.75 4.97 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.4 -44.19 25.52 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.55 179.31 51.4 Favored Glycine 0 N--CA 1.481 1.7 0 CA-C-O 123.563 1.646 . . . . 0.0 113.974 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.654 0 O-C-N 120.672 -1.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.401 ' CB ' ' H ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -152.35 162.08 41.69 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 126.221 2.2 . . . . 0.0 108.367 . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.85 125.8 9.13 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 105.734 -1.951 . . . . 0.0 105.734 164.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.7 t -139.98 107.24 6.86 Favored Pre-proline 0 CA--C 1.591 2.551 0 N-CA-C 102.287 -3.227 . . . . 0.0 102.287 166.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 38.0 Cg_exo 61.54 -112.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.937 0 CA-C-N 127.308 3.646 . . . . 0.0 111.202 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -114.65 60.82 0.68 Allowed 'General case' 0 CA--C 1.569 1.698 0 O-C-N 124.612 1.195 . . . . 0.0 110.351 166.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -95.69 123.57 39.32 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 167.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' H ' ' CB ' ' A' ' 1' ' ' TYR . 92.1 m-85 -106.79 -127.82 0.26 Allowed 'General case' 0 CA--C 1.577 2.019 0 C-N-CA 125.029 1.331 . . . . 0.0 108.449 -166.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 t -102.08 -83.73 0.46 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 169.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.46 25.5 ptt180 -149.96 -70.25 0.19 Allowed 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 122.965 2.62 . . . . 0.0 112.735 -176.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -134.91 -27.55 1.26 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 116.33 1.974 . . . . 0.0 116.33 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -58.28 -40.45 81.93 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 116.999 2.222 . . . . 0.0 116.999 170.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.63 -47.48 59.84 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 115.672 -2.109 . . . . 0.0 115.56 -169.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.26 -44.17 88.96 Favored 'General case' 0 N--CA 1.501 2.089 0 CA-C-N 122.733 2.515 . . . . 0.0 114.047 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -29.18 70.41 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 117.803 2.519 . . . . 0.0 117.803 167.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER -71.06 -62.33 1.44 Allowed 'General case' 0 CA--C 1.576 1.955 0 C-N-CA 125.18 1.392 . . . . 0.0 110.89 167.727 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mp -66.26 -22.54 66.32 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 113.907 -2.949 . . . . 0.0 117.446 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 mt -63.32 -39.73 95.36 Favored 'General case' 0 N--CA 1.506 2.363 0 CA-C-N 124.406 3.275 . . . . 0.0 116.931 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.14 -40.58 96.46 Favored 'General case' 0 N--CA 1.506 2.358 0 CA-C-O 117.031 -1.461 . . . . 0.0 114.865 171.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -67.43 -52.58 37.94 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 168.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -142.89 107.45 4.82 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 -168.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.98 40.03 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 116.894 2.183 . . . . 0.0 116.894 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.6 -89.37 0.08 OUTLIER Glycine 0 C--N 1.354 1.529 0 CA-C-N 119.743 1.156 . . . . 0.0 110.52 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 120.96 -1.317 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -133.43 91.52 2.87 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 125.189 1.555 . . . . 0.0 108.248 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.7 112.89 12.54 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -171.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -110.04 101.96 49.19 Favored Pre-proline 0 CA--C 1.593 2.616 0 N-CA-C 100.271 -3.974 . . . . 0.0 100.271 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.527 46.3 Cg_exo 66.17 -107.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.744 0 CA-C-N 126.204 3.252 . . . . 0.0 110.143 -171.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -123.71 64.79 1.03 Allowed 'General case' 0 CA--C 1.567 1.632 0 O-C-N 124.471 1.107 . . . . 0.0 109.662 166.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -100.96 97.25 7.85 Favored 'General case' 0 CA--C 1.561 1.393 0 N-CA-C 103.758 -2.682 . . . . 0.0 103.758 169.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.258 0.3 OUTLIER -90.71 -120.98 0.07 Allowed 'General case' 0 CA--C 1.585 2.316 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 -168.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.8 m -132.89 121.65 23.19 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 102.938 -2.986 . . . . 0.0 102.938 168.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -39.65 -51.06 2.3 Favored 'General case' 0 CA--C 1.562 1.409 1 N-CA-C 123.014 4.45 . . . . 0.0 123.014 -163.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 94.5 p -106.75 -48.02 3.61 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 119.043 2.979 . . . . 0.0 119.043 -168.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -67.51 -15.39 63.64 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 117.261 2.319 . . . . 0.0 117.261 173.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -117.03 148.21 41.68 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 125.121 1.368 . . . . 0.0 108.309 -171.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.379 5.9 tp 61.33 -30.47 0.07 Allowed 'General case' 0 N--CA 1.503 2.201 0 N-CA-C 116.757 2.132 . . . . 0.0 116.757 -167.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.82 88.56 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 120.338 1.426 . . . . 0.0 114.723 164.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -68.37 -45.55 72.48 Favored 'General case' 0 CA--C 1.574 1.886 0 C-N-CA 125.523 1.529 . . . . 0.0 112.597 169.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.22 -43.64 86.08 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.707 -2.092 . . . . 0.0 115.605 173.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.81 -37.15 83.35 Favored 'General case' 0 N--CA 1.504 2.251 0 CA-C-N 121.69 2.041 . . . . 0.0 116.276 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.2 -36.72 83.8 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-O 116.765 -1.588 . . . . 0.0 114.447 168.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.22 -53.72 27.63 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.308 1.595 . . . . 0.0 115.308 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.76 4.99 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 104.196 -2.52 . . . . 0.0 104.196 -168.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.87 -43.84 28.98 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 173.07 89.29 0.07 OUTLIER Glycine 0 C--N 1.354 1.565 0 CA-C-N 119.723 1.147 . . . . 0.0 110.538 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 120.956 -1.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -138.72 -56.73 0.62 Allowed 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 33.37 111.54 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.92 0 C-N-CA 128.977 2.911 . . . . 0.0 115.141 -165.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.2 t -117.31 105.45 48.64 Favored Pre-proline 0 CA--C 1.593 2.63 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 168.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 32.4 Cg_exo 62.38 -100.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.791 0 CA-C-N 126.981 3.529 . . . . 0.0 110.526 -172.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -126.03 60.75 1.28 Allowed 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.55 166.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -85.63 129.65 34.77 Favored 'General case' 0 CA--C 1.568 1.665 0 CA-C-N 114.74 -1.118 . . . . 0.0 108.703 169.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -118.03 -123.86 0.29 Allowed 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 -168.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.8 m -152.71 114.62 4.36 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 169.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 14.96 64.3 0.01 OUTLIER 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 120.4 3.481 . . . . 0.0 120.4 169.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.4 t 30.29 43.96 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 121.704 3.965 . . . . 0.0 121.704 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -105.4 -38.42 6.49 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.237 164.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -74.06 -57.76 3.75 Favored 'General case' 0 CA--C 1.559 1.307 0 CA-C-O 116.078 -1.915 . . . . 0.0 115.12 173.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 tp -56.42 -40.85 75.41 Favored 'General case' 0 N--CA 1.505 2.304 0 CA-C-N 122.499 2.409 . . . . 0.0 115.742 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -27.19 68.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 117.567 2.432 . . . . 0.0 117.567 167.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -72.91 -52.19 15.66 Favored 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 117.265 -1.35 . . . . 0.0 111.254 167.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.92 -42.45 99.11 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-O 115.512 -2.185 . . . . 0.0 116.858 175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.05 -42.92 86.43 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-N 122.113 2.233 . . . . 0.0 115.946 -175.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.256 34.4 ptt180 -65.44 -39.89 92.62 Favored 'General case' 0 N--CA 1.5 2.058 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 167.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.72 -49.0 76.8 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 117.004 2.224 . . . . 0.0 117.004 171.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . 0.312 54.9 m-70 -123.57 -116.04 0.3 Allowed 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 116.633 -1.651 . . . . 0.0 106.554 -167.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 51.93 98.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 121.967 2.167 . . . . 0.0 114.638 -172.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.17 -179.12 50.86 Favored Glycine 0 N--CA 1.481 1.691 0 CA-C-O 123.551 1.639 . . . . 0.0 114.045 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.645 0 O-C-N 120.623 -1.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -152.15 162.19 41.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 126.196 2.185 . . . . 0.0 108.383 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.95 125.72 9.02 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 105.604 -1.999 . . . . 0.0 105.604 164.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -138.57 107.04 7.71 Favored Pre-proline 0 CA--C 1.59 2.506 0 N-CA-C 102.446 -3.168 . . . . 0.0 102.446 166.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.522 35.3 Cg_exo 61.83 -110.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.966 0 CA-C-N 127.332 3.654 . . . . 0.0 111.187 -178.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.9 p -117.56 61.34 0.75 Allowed 'General case' 0 CA--C 1.568 1.652 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 166.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -94.99 124.06 38.82 Favored 'General case' 0 CA--C 1.573 1.851 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 167.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -106.54 -122.63 0.23 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 124.853 1.261 . . . . 0.0 108.354 -167.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -108.97 -81.35 0.57 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 115.679 -2.105 . . . . 0.0 105.938 172.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.465 7.0 ptm180 -150.3 -71.15 0.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 123.318 2.781 . . . . 0.0 113.098 -177.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.1 p -135.6 -29.54 1.05 Allowed 'General case' 0 N--CA 1.5 2.03 0 N-CA-C 115.98 1.845 . . . . 0.0 115.98 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -59.77 -34.83 73.51 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 117.447 2.388 . . . . 0.0 117.447 170.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.24 -60.32 2.35 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 115.86 -2.019 . . . . 0.0 113.945 -169.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.79 -41.1 85.9 Favored 'General case' 0 N--CA 1.502 2.175 0 CA-C-N 122.289 2.313 . . . . 0.0 114.978 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.66 -29.01 70.0 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 167.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -70.45 -56.99 5.29 Favored 'General case' 0 CA--C 1.579 2.058 0 C-N-CA 124.929 1.291 . . . . 0.0 111.396 167.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.97 -28.32 65.44 Favored 'General case' 0 CA--C 1.566 1.565 0 CA-C-O 114.567 -2.635 . . . . 0.0 116.398 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.1 -38.81 87.63 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 123.452 2.842 . . . . 0.0 116.971 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -39.57 94.16 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-O 116.945 -1.503 . . . . 0.0 114.865 169.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -66.89 -53.2 34.54 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 169.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -141.92 107.33 5.03 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 104.173 -2.528 . . . . 0.0 104.173 -168.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.93 -43.75 28.98 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 116.614 2.079 . . . . 0.0 116.614 -177.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.7 89.32 0.08 OUTLIER Glycine 0 C--N 1.353 1.477 0 CA-C-N 119.739 1.154 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 120.906 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.07 162.81 38.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 126.102 2.126 . . . . 0.0 108.574 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -151.2 124.51 8.85 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 104.681 -2.34 . . . . 0.0 104.681 163.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.76 106.21 10.69 Favored Pre-proline 0 CA--C 1.59 2.514 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 166.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 31.3 Cg_exo 62.93 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.923 0 CA-C-N 127.109 3.575 . . . . 0.0 110.743 -176.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -119.45 60.79 0.83 Allowed 'General case' 0 CA--C 1.568 1.652 0 O-C-N 124.693 1.246 . . . . 0.0 110.189 166.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -89.58 135.85 33.37 Favored 'General case' 0 CA--C 1.576 1.956 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 167.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -126.45 -130.85 0.24 Allowed 'General case' 0 CA--C 1.583 2.222 0 C-N-CA 124.854 1.262 . . . . 0.0 108.101 -166.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.6 m -102.35 -102.28 0.28 Allowed 'General case' 0 C--N 1.358 0.939 0 N-CA-C 102.134 -3.284 . . . . 0.0 102.134 168.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.407 10.8 ptm180 -153.34 -58.93 0.13 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 125.385 3.72 . . . . 0.0 117.147 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.0 p -124.75 -41.64 2.11 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.74 -37.39 84.56 Favored 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 115.821 1.785 . . . . 0.0 115.821 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.259 16.7 tp10 -71.18 -51.45 24.76 Favored 'General case' 0 CA--C 1.561 1.38 0 N-CA-C 116.591 2.071 . . . . 0.0 116.591 -167.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.8 tp -60.5 -46.82 88.72 Favored 'General case' 0 N--CA 1.506 2.329 0 CA-C-N 122.058 2.208 . . . . 0.0 114.351 172.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -22.13 66.54 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 118.33 2.715 . . . . 0.0 118.33 168.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 50.6 tttp -67.04 -54.29 23.01 Favored 'General case' 0 CA--C 1.577 2.018 0 C-N-CA 125.239 1.415 . . . . 0.0 112.087 168.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.38 -46.5 83.06 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-O 115.786 -2.054 . . . . 0.0 116.03 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.52 -36.04 76.05 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-N 121.731 2.059 . . . . 0.0 114.788 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.95 -37.4 87.52 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.866 -1.54 . . . . 0.0 114.48 167.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.04 -51.69 44.03 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 115.205 1.557 . . . . 0.0 115.205 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -141.08 107.54 5.29 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 104.262 -2.496 . . . . 0.0 104.262 -168.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.7 -44.93 22.43 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 116.378 1.992 . . . . 0.0 116.378 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.97 87.19 1.32 Allowed Glycine 0 C--N 1.356 1.689 0 CA-C-N 119.788 1.177 . . . . 0.0 111.049 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.835 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.237 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -131.24 171.4 13.35 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 125.858 1.974 . . . . 0.0 109.752 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.22 124.78 9.67 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 161.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 t -132.5 105.21 13.18 Favored Pre-proline 0 CA--C 1.591 2.546 0 N-CA-C 102.441 -3.17 . . . . 0.0 102.441 167.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.513 31.6 Cg_exo 63.07 -101.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.394 2.944 0 CA-C-N 127.191 3.604 . . . . 0.0 110.618 -176.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 m -127.63 62.96 1.38 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.23 -1.35 . . . . 0.0 109.71 165.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -90.87 127.74 36.48 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-N 113.607 -1.633 . . . . 0.0 107.992 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -130.26 -130.05 0.21 Allowed 'General case' 0 CA--C 1.591 2.541 0 N-CA-C 105.883 -1.895 . . . . 0.0 105.883 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 32.1 t -119.24 148.97 42.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 127.558 2.343 . . . . 0.0 105.022 167.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -59.3 -53.98 52.0 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 119.364 3.098 . . . . 0.0 119.364 -164.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.7 t -122.89 -44.09 2.21 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -171.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -67.24 -13.58 62.11 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 173.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' HG2' ' H ' ' A' ' 9' ' ' SER 0.32 4.1 tp10 -103.55 -73.99 0.65 Allowed 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 115.71 -2.09 . . . . 0.0 111.797 -167.248 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tp -57.99 -31.55 67.03 Favored 'General case' 0 N--CA 1.511 2.592 0 CA-C-N 122.879 2.581 . . . . 0.0 115.348 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 -28.51 69.95 Favored 'General case' 0 CA--C 1.568 1.668 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 165.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -47.56 58.97 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.22 1.408 . . . . 0.0 113.03 168.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.15 -46.39 81.1 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 115.949 -1.977 . . . . 0.0 115.377 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.36 -37.06 81.98 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -66.39 -36.66 83.41 Favored 'General case' 0 N--CA 1.502 2.163 0 CA-C-O 116.669 -1.634 . . . . 0.0 114.424 168.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.2 -53.69 27.99 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 169.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.52 107.82 5.01 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 104.235 -2.506 . . . . 0.0 104.235 -168.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.95 -43.86 28.55 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 116.641 2.089 . . . . 0.0 116.641 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.13 89.33 0.07 OUTLIER Glycine 0 C--N 1.354 1.57 0 CA-C-N 119.686 1.13 . . . . 0.0 110.586 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.533 0 O-C-N 121.025 -1.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.449 ' H1 ' ' O ' ' A' ' 9' ' ' SER . . . . . . . . 0 C--O 1.23 0.048 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.429 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 1.3 t80 -157.88 -63.3 0.09 Allowed 'General case' 0 N--CA 1.506 2.362 1 O-C-N 116.285 -4.009 . . . . 0.0 113.164 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.35 123.67 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 129.405 3.082 . . . . 0.0 116.079 -166.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.4 t -151.25 113.14 3.05 Favored Pre-proline 0 CA--C 1.594 2.657 0 N-CA-C 102.847 -3.02 . . . . 0.0 102.847 168.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.408 25.0 Cg_exo 48.13 50.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 CA-C-N 127.43 3.689 . . . . 0.0 117.491 173.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.285 69.9 p 51.44 52.21 15.21 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 126.024 1.73 . . . . 0.0 115.611 -165.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 53.7 m -98.23 104.52 16.56 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 102.273 -3.232 . . . . 0.0 102.273 169.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.429 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 99.5 m-85 -86.79 -118.58 0.04 OUTLIER 'General case' 0 CA--C 1.578 2.029 0 CA-C-O 117.389 -1.291 . . . . 0.0 108.159 -167.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.449 ' O ' ' H1 ' ' A' ' 0' ' ' ACE . 11.3 t -110.15 -93.4 0.43 Allowed 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 101.77 -3.418 . . . . 0.0 101.77 169.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.443 14.2 ptp180 -143.36 -65.85 0.38 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 122.809 2.55 . . . . 0.0 113.688 -171.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 t -136.57 -30.29 0.92 Allowed 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.43 -37.69 75.92 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 117.392 2.368 . . . . 0.0 117.392 171.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -71.96 -49.88 33.61 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 115.64 -2.124 . . . . 0.0 115.151 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.21 -42.9 99.36 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 121.994 2.179 . . . . 0.0 114.486 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.32 -34.11 77.55 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 168.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -66.45 -49.31 67.11 Favored 'General case' 0 CA--C 1.582 2.194 0 C-N-CA 124.949 1.299 . . . . 0.0 111.99 166.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.15 -39.18 63.45 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 115.118 -2.373 . . . . 0.0 115.585 -173.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.4 mt -60.98 -31.11 70.71 Favored 'General case' 0 N--CA 1.504 2.243 0 CA-C-N 122.396 2.362 . . . . 0.0 116.917 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -66.13 -42.44 89.13 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 116.653 -1.641 . . . . 0.0 114.327 169.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -72.51 -52.08 17.26 Favored 'General case' 0 N--CA 1.499 2.024 0 CA-C-N 120.579 1.536 . . . . 0.0 113.854 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -141.28 119.61 12.22 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 106.099 -1.815 . . . . 0.0 106.099 -167.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.61 94.29 3.07 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.22 89.4 0.08 OUTLIER Glycine 0 N--CA 1.474 1.2 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.532 0 O-C-N 120.992 -1.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -132.94 97.79 4.12 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 125.197 1.561 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.67 126.47 31.08 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -169.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -136.47 110.18 9.62 Favored Pre-proline 0 CA--C 1.594 2.668 0 N-CA-C 102.46 -3.163 . . . . 0.0 102.46 177.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.417 24.7 Cg_exo 49.36 46.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.675 0 CA-C-N 127.067 3.56 . . . . 0.0 117.616 175.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . 0.313 34.6 t 56.53 54.86 7.0 Favored 'General case' 0 N--CA 1.507 2.405 0 C-N-CA 125.848 1.659 . . . . 0.0 114.518 -165.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -97.74 91.49 5.41 Favored 'General case' 0 CA--C 1.568 1.641 0 N-CA-C 103.081 -2.933 . . . . 0.0 103.081 167.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.276 7.2 m-85 -76.3 -96.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 CA-C-O 116.733 -1.603 . . . . 0.0 110.902 -165.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.27 19.1 t -136.08 -95.93 0.24 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 172.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.512 28.0 ptt180 -136.76 -88.16 0.3 Allowed 'General case' 0 N--CA 1.488 1.429 0 CA-C-N 122.273 2.306 . . . . 0.0 109.243 -169.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.3 t -140.28 77.91 1.63 Allowed 'General case' 0 N--CA 1.499 2.025 0 CA-C-N 121.61 2.005 . . . . 0.0 110.011 169.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -158.77 -33.59 0.07 Allowed 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 127.029 2.131 . . . . 0.0 111.629 177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.4 -62.97 1.47 Allowed 'General case' 0 CA--C 1.558 1.275 0 CA-C-O 115.969 -1.967 . . . . 0.0 111.681 -168.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -46.44 -42.05 14.75 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-N 122.396 2.362 . . . . 0.0 116.019 174.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.02 -32.95 73.67 Favored 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.293 2.331 . . . . 0.0 117.293 168.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -67.61 -58.18 5.14 Favored 'General case' 0 CA--C 1.585 2.305 0 C-N-CA 125.532 1.533 . . . . 0.0 111.532 167.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -64.93 -37.78 88.79 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 114.704 -2.57 . . . . 0.0 116.232 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.13 -29.97 67.79 Favored 'General case' 0 N--CA 1.507 2.412 0 CA-C-N 123.073 2.67 . . . . 0.0 117.42 178.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -66.9 -43.12 84.21 Favored 'General case' 0 N--CA 1.503 2.176 0 CA-C-O 116.854 -1.546 . . . . 0.0 114.316 169.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -54.72 12.63 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 169.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -139.4 107.29 5.67 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -167.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.31 -45.61 11.08 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -177.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.54 -87.98 1.35 Allowed Glycine 0 C--N 1.357 1.736 0 CA-C-N 119.801 1.182 . . . . 0.0 110.948 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.526 0 O-C-N 120.918 -1.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.48 ' H1 ' ' HB ' ' A' ' 7' ' ' THR . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -139.28 91.87 2.54 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.28 116.0 15.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.04 -1.038 . . . . 0.0 108.44 -168.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.6 t -107.85 103.47 49.75 Favored Pre-proline 0 CA--C 1.591 2.556 0 N-CA-C 100.673 -3.825 . . . . 0.0 100.673 173.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.526 48.2 Cg_exo 66.5 -106.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.79 0 CA-C-N 126.26 3.271 . . . . 0.0 110.073 -171.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -125.08 66.53 1.12 Allowed 'General case' 0 CA--C 1.567 1.604 0 O-C-N 124.567 1.167 . . . . 0.0 109.194 166.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.48 ' HB ' ' H1 ' ' A' ' 0' ' ' ACE . 19.6 p -99.66 105.27 17.08 Favored 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 102.049 -3.315 . . . . 0.0 102.049 167.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -94.86 -126.02 0.12 Allowed 'General case' 0 CA--C 1.586 2.346 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 -169.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -118.71 123.67 45.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 166.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.272 43.7 mtm180 -48.67 -61.45 2.02 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 120.69 3.589 . . . . 0.0 120.69 -161.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.4 p -122.31 68.23 0.94 Allowed 'General case' 0 N--CA 1.503 2.195 0 CA-C-N 121.118 1.781 . . . . 0.0 114.521 -171.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -172.53 -41.56 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 127.124 2.17 . . . . 0.0 110.875 169.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.269 5.3 tp10 -70.09 -62.09 1.52 Allowed 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 127.165 2.186 . . . . 0.0 115.966 -167.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.68 -35.36 79.95 Favored 'General case' 0 N--CA 1.504 2.249 0 CA-C-N 121.587 1.994 . . . . 0.0 114.611 176.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.26 -28.63 70.16 Favored 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 116.377 1.991 . . . . 0.0 116.377 165.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -70.34 -51.29 31.15 Favored 'General case' 0 CA--C 1.581 2.158 0 C-N-CA 124.994 1.318 . . . . 0.0 111.202 165.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -64.95 -43.05 93.97 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 116.964 2.209 . . . . 0.0 116.964 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.02 -34.73 70.37 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 116.955 2.205 . . . . 0.0 116.955 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -66.06 -38.17 87.65 Favored 'General case' 0 N--CA 1.502 2.155 0 CA-C-O 116.762 -1.59 . . . . 0.0 114.526 168.228 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.68 -54.21 14.95 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 169.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -144.03 118.62 9.76 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 -168.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.48 93.53 3.07 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 176.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.82 -88.33 1.35 Allowed Glycine 0 N--CA 1.479 1.555 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.056 -178.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.543 0 O-C-N 121.025 -1.279 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -137.7 -57.06 0.68 Allowed 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.21 115.09 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.913 0 C-N-CA 129.398 3.079 . . . . 0.0 114.926 -164.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t -127.71 105.78 20.85 Favored Pre-proline 0 CA--C 1.594 2.652 0 N-CA-C 100.983 -3.71 . . . . 0.0 100.983 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.515 31.2 Cg_exo 62.06 -102.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.836 0 CA-C-N 127.153 3.59 . . . . 0.0 110.668 -174.484 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -124.79 62.64 1.14 Allowed 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.23 166.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 p -94.32 116.1 28.43 Favored 'General case' 0 CA--C 1.563 1.477 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 170.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -106.04 -115.55 0.25 Allowed 'General case' 0 CA--C 1.579 2.091 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -175.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.342 68.5 m -112.53 -120.91 0.29 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 103.479 -2.785 . . . . 0.0 103.479 168.089 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.34 57.7 mtp85 -131.55 -113.05 0.24 Allowed 'General case' 0 CA--C 1.557 1.237 0 CA-C-O 115.363 -2.256 . . . . 0.0 107.307 -164.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.4 p -84.58 -28.77 26.34 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 118.129 2.64 . . . . 0.0 118.129 -175.634 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -61.95 -39.45 92.15 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 116.021 1.86 . . . . 0.0 116.021 169.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -78.09 155.38 30.6 Favored 'General case' 0 CA--C 1.568 1.64 0 C-N-CA 124.814 1.245 . . . . 0.0 110.764 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.386 0.6 OUTLIER 75.37 -47.28 0.6 Allowed 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 126.428 1.891 . . . . 0.0 113.325 -169.168 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.66 73.73 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 164.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -69.5 -55.19 10.92 Favored 'General case' 0 CA--C 1.581 2.17 0 C-N-CA 125.385 1.474 . . . . 0.0 110.575 165.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.89 -38.38 82.94 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 115.171 -2.347 . . . . 0.0 117.146 -177.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.92 -35.73 82.08 Favored 'General case' 0 N--CA 1.505 2.294 0 CA-C-N 122.415 2.371 . . . . 0.0 115.805 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -63.83 -39.49 94.34 Favored 'General case' 0 N--CA 1.502 2.131 0 CA-C-O 116.92 -1.514 . . . . 0.0 114.67 168.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.1 -54.57 14.32 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -141.6 105.84 4.81 Favored 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 104.159 -2.534 . . . . 0.0 104.159 -168.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.2 -44.16 26.51 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 116.552 2.056 . . . . 0.0 116.552 -176.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.14 87.65 1.33 Allowed Glycine 0 C--N 1.356 1.687 0 CA-C-N 119.836 1.198 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 120.999 -1.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.409 ' CB ' ' H ' ' A' ' 8' ' ' PHE . 0.9 OUTLIER -131.65 171.54 13.34 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 125.829 1.956 . . . . 0.0 109.178 . . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.54 125.39 9.8 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 162.648 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 t -136.1 105.35 9.54 Favored Pre-proline 0 CA--C 1.591 2.539 0 N-CA-C 102.375 -3.194 . . . . 0.0 102.375 166.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.516 34.1 Cg_exo 62.29 -106.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.91 0 CA-C-N 127.329 3.653 . . . . 0.0 110.808 -176.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.8 p -121.29 60.87 0.92 Allowed 'General case' 0 CA--C 1.57 1.735 0 O-C-N 124.626 1.204 . . . . 0.0 110.231 165.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -92.59 126.27 37.6 Favored 'General case' 0 CA--C 1.57 1.713 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.358 169.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.409 ' H ' ' CB ' ' A' ' 1' ' ' TYR . 2.2 m-85 -126.48 -131.04 0.24 Allowed 'General case' 0 CA--C 1.592 2.558 0 N-CA-C 106.795 -1.557 . . . . 0.0 106.795 -173.114 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.462 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 73.5 m -113.8 143.76 44.12 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.713 2.405 . . . . 0.0 105.372 168.483 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -52.2 -53.71 40.0 Favored 'General case' 0 CA--C 1.561 1.377 1 N-CA-C 122.178 4.14 . . . . 0.0 122.178 -164.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.9 m -122.43 -48.16 2.08 Favored 'General case' 0 N--CA 1.503 2.207 0 N-CA-C 117.419 2.377 . . . . 0.0 117.419 -168.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -67.57 -33.66 75.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 116.019 1.859 . . . . 0.0 116.019 175.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 9' ' ' SER 0.266 4.8 tp10 -70.98 -59.94 2.51 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-O 115.943 -1.979 . . . . 0.0 115.354 -168.203 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.63 -39.74 92.37 Favored 'General case' 0 N--CA 1.507 2.396 0 CA-C-N 122.125 2.239 . . . . 0.0 114.855 177.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.08 -29.32 70.71 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 116.998 2.221 . . . . 0.0 116.998 166.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -69.31 -53.51 19.3 Favored 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 125.092 1.357 . . . . 0.0 111.587 166.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.0 -40.96 97.41 Favored 'General case' 0 CA--C 1.561 1.394 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.53 -38.98 89.4 Favored 'General case' 0 N--CA 1.504 2.256 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 178.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . 0.263 34.4 ptt180 -62.78 -40.86 98.6 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 167.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.91 -52.53 49.16 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 169.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -141.95 107.09 4.96 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 -168.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 -44.38 23.79 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -177.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.07 87.39 1.32 Allowed Glycine 0 C--N 1.356 1.678 0 CA-C-N 119.873 1.215 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 120.902 -1.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.492 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -152.03 163.15 39.92 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 126.326 2.266 . . . . 0.0 107.042 . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.69 125.56 9.79 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 164.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.5 t -149.71 107.25 3.28 Favored Pre-proline 0 CA--C 1.593 2.626 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 167.155 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.535 29.5 Cg_exo 60.32 -125.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.885 0 CA-C-N 127.044 3.552 . . . . 0.0 112.082 178.406 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p -101.05 63.09 0.99 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 124.726 1.266 . . . . 0.0 110.032 166.415 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 p -102.7 104.24 14.56 Favored 'General case' 0 CA--C 1.574 1.873 1 N-CA-C 100.112 -4.033 . . . . 0.0 100.112 167.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.492 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 96.3 m-85 -85.68 -127.16 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.088 0 C-N-CA 125.78 1.632 . . . . 0.0 109.087 -166.8 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -111.28 -95.48 0.43 Allowed 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 101.6 -3.482 . . . . 0.0 101.6 169.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.451 14.5 ptp180 -141.74 -68.14 0.38 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 123.897 3.044 . . . . 0.0 114.019 -169.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.4 m -136.23 -28.21 1.05 Allowed 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 115.482 1.66 . . . . 0.0 115.482 177.227 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.45 -39.14 82.65 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 169.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.4 -58.67 3.7 Favored 'General case' 0 CA--C 1.566 1.561 0 CA-C-O 116.437 -1.745 . . . . 0.0 114.802 -169.067 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -53.28 -43.12 67.24 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 121.594 1.997 . . . . 0.0 114.942 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.93 64.91 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.044 2.609 . . . . 0.0 118.044 169.099 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -66.66 -54.85 18.79 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 120.307 1.412 . . . . 0.0 112.284 168.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -66.55 -44.67 81.71 Favored 'General case' 0 CA--C 1.563 1.457 0 CA-C-O 115.749 -2.072 . . . . 0.0 115.359 179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.93 -29.9 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 121.676 2.035 . . . . 0.0 115.308 174.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.86 -38.12 76.32 Favored 'General case' 0 N--CA 1.503 2.215 0 CA-C-O 116.705 -1.617 . . . . 0.0 113.705 167.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.77 -54.04 18.31 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -142.08 107.11 4.93 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 104.078 -2.564 . . . . 0.0 104.078 -168.646 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.51 24.74 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.509 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.13 -87.29 1.33 Allowed Glycine 0 C--N 1.357 1.712 0 CA-C-N 119.859 1.209 . . . . 0.0 111.118 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 120.906 -1.349 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.296 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.487 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -150.78 165.05 34.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 126.059 2.099 . . . . 0.0 109.139 . . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.0 125.7 8.98 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 163.343 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -139.34 107.9 7.3 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 166.068 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.519 38.1 Cg_exo 60.79 -109.92 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.837 0 CA-C-N 127.464 3.702 . . . . 0.0 111.446 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -117.51 63.16 0.74 Allowed 'General case' 0 CA--C 1.569 1.697 0 O-C-N 124.649 1.218 . . . . 0.0 110.121 166.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.4 t -98.24 112.33 24.35 Favored 'General case' 0 CA--C 1.568 1.666 0 N-CA-C 104.095 -2.558 . . . . 0.0 104.095 168.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.487 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 97.0 m-85 -93.44 -117.2 0.09 Allowed 'General case' 0 CA--C 1.572 1.808 0 C-N-CA 125.176 1.391 . . . . 0.0 108.513 -167.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 57.4 m -130.16 -102.07 0.3 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 179.701 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.33 23.2 ptt-85 -149.53 87.18 1.49 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 123.34 2.791 . . . . 0.0 110.496 -168.28 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.5 m 33.12 50.73 0.25 Allowed 'General case' 0 N--CA 1.509 2.519 0 N-CA-C 119.2 3.037 . . . . 0.0 119.2 -177.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -137.75 -33.01 0.73 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 112.818 -1.992 . . . . 0.0 112.166 171.354 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -75.82 -59.3 2.81 Favored 'General case' 0 CA--C 1.563 1.446 0 CA-C-O 115.925 -1.988 . . . . 0.0 112.36 -169.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.6 tp -50.58 -43.01 56.31 Favored 'General case' 0 N--CA 1.502 2.159 0 CA-C-N 122.313 2.324 . . . . 0.0 115.518 175.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.47 -30.86 69.81 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 117.641 2.46 . . . . 0.0 117.641 168.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -68.39 -54.24 18.53 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.711 1.204 . . . . 0.0 112.29 168.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.22 -40.02 90.03 Favored 'General case' 0 CA--C 1.561 1.398 0 CA-C-O 114.945 -2.455 . . . . 0.0 116.113 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.74 -37.8 88.71 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 122.797 2.544 . . . . 0.0 116.468 -179.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.43 -37.51 87.14 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-O 116.81 -1.567 . . . . 0.0 114.686 168.879 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.39 -53.95 24.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 169.455 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -142.42 107.51 4.95 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 104.207 -2.516 . . . . 0.0 104.207 -168.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.91 -44.03 28.25 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -177.641 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.43 -89.4 0.07 OUTLIER Glycine 0 C--N 1.353 1.524 0 CA-C-N 119.658 1.117 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 O-C-N 120.98 -1.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.293 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -149.03 76.74 1.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 125.548 1.78 . . . . 0.0 109.606 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 p -73.53 125.93 29.09 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.281 -0.887 . . . . 0.0 112.318 -168.396 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 37.4 t -149.88 106.43 3.23 Favored Pre-proline 0 CA--C 1.596 2.743 0 N-CA-C 101.016 -3.698 . . . . 0.0 101.016 167.745 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.531 33.4 Cg_exo 62.25 -136.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.792 0 CA-C-N 126.606 3.395 . . . . 0.0 112.889 -178.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -91.32 59.45 3.91 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 124.282 0.988 . . . . 0.0 110.871 166.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.2 m -102.45 91.56 4.3 Favored 'General case' 0 CA--C 1.579 2.086 1 N-CA-C 100.12 -4.03 . . . . 0.0 100.12 165.658 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.266 4.0 m-85 -77.8 -100.45 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 116.475 -1.726 . . . . 0.0 109.981 -166.756 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.261 8.1 t -141.1 -100.87 0.14 Allowed 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.332 35.2 ptt85 -151.95 87.17 1.33 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 122.234 2.288 . . . . 0.0 109.861 -169.141 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t 33.44 54.69 0.48 Allowed 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 118.852 2.908 . . . . 0.0 118.852 -174.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.92 -48.15 0.32 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 126.217 1.807 . . . . 0.0 110.381 173.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -61.2 -43.58 98.66 Favored 'General case' 0 CA--C 1.568 1.652 0 C-N-CA 126.699 2.0 . . . . 0.0 115.425 175.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 tt -58.82 -50.68 73.07 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-N 120.466 1.484 . . . . 0.0 113.388 175.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.87 -29.04 66.17 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 169.067 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -66.86 -57.07 7.72 Favored 'General case' 0 CA--C 1.576 1.962 0 CA-C-N 120.08 1.309 . . . . 0.0 112.281 169.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -68.51 -44.01 75.57 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 115.331 -2.271 . . . . 0.0 115.856 178.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.78 -37.89 76.52 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 122.438 2.381 . . . . 0.0 115.263 178.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -66.42 -36.08 81.91 Favored 'General case' 0 N--CA 1.502 2.171 0 CA-C-O 116.62 -1.657 . . . . 0.0 114.404 167.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.78 -53.72 24.97 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 115.247 1.573 . . . . 0.0 115.247 169.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.08 107.67 5.08 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 104.289 -2.485 . . . . 0.0 104.289 -168.652 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.88 -43.8 29.09 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -177.528 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.63 89.38 0.08 OUTLIER Glycine 0 C--N 1.354 1.566 0 CA-C-N 119.696 1.134 . . . . 0.0 110.561 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 120.981 -1.305 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -168.54 -61.1 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.637 1 O-C-N 115.829 -4.295 . . . . 0.0 111.226 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 39.64 128.88 0.0 OUTLIER 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 129.609 3.164 . . . . 0.0 116.639 -167.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -155.31 107.44 2.24 Favored Pre-proline 0 CA--C 1.597 2.776 0 N-CA-C 100.724 -3.806 . . . . 0.0 100.724 167.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.528 36.1 Cg_exo 64.36 -120.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.391 2.807 0 CA-C-N 126.962 3.522 . . . . 0.0 111.375 -177.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -114.08 65.94 0.67 Allowed 'General case' 0 CA--C 1.568 1.666 0 O-C-N 124.664 1.228 . . . . 0.0 109.815 166.688 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.8 t -102.33 100.56 10.74 Favored 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 102.953 -2.98 . . . . 0.0 102.953 167.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -84.57 -109.62 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.059 0 CA-C-O 117.096 -1.431 . . . . 0.0 107.197 -168.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.3 m -154.94 133.89 12.25 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 127.019 2.128 . . . . 0.0 105.549 172.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -33.58 92.63 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.379 0 N-CA-C 120.613 3.56 . . . . 0.0 120.613 -167.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t 45.06 58.39 4.09 Favored 'General case' 0 N--CA 1.509 2.488 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 174.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -145.48 -40.15 0.24 Allowed 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 113.007 -1.906 . . . . 0.0 110.285 168.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.43 -48.46 72.67 Favored 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 126.171 1.788 . . . . 0.0 114.861 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 tp -56.19 -47.84 77.54 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 121.368 1.895 . . . . 0.0 114.29 175.283 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.35 -28.05 64.82 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 118.254 2.687 . . . . 0.0 118.254 169.062 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.19 -56.32 9.15 Favored 'General case' 0 CA--C 1.578 2.023 0 CA-C-N 120.072 1.306 . . . . 0.0 112.113 169.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.4 -46.12 77.66 Favored 'General case' 0 CA--C 1.565 1.537 0 CA-C-O 115.551 -2.166 . . . . 0.0 115.517 177.479 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -71.2 -29.03 64.66 Favored 'General case' 0 N--CA 1.499 2.014 0 CA-C-N 121.98 2.173 . . . . 0.0 115.493 176.215 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -69.83 -38.07 76.41 Favored 'General case' 0 N--CA 1.503 2.181 0 CA-C-O 116.678 -1.63 . . . . 0.0 113.567 167.513 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.61 -53.6 18.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 169.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -142.83 120.97 12.17 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 -167.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.47 94.33 3.09 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 176.151 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -175.18 -89.44 0.07 OUTLIER Glycine 0 N--CA 1.475 1.268 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.514 -178.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 120.872 -1.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.444 ' HB3' ' H ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -166.0 147.18 6.79 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 116.303 -3.998 . . . . 0.0 110.587 . . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.46 125.41 9.86 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 105.417 -2.068 . . . . 0.0 105.417 163.864 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -144.02 106.92 4.91 Favored Pre-proline 0 CA--C 1.595 2.676 0 N-CA-C 101.349 -3.574 . . . . 0.0 101.349 166.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.536 34.9 Cg_exo 63.38 -129.68 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.905 0 CA-C-N 126.562 3.379 . . . . 0.0 111.996 -177.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -101.93 64.74 0.96 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 124.527 1.142 . . . . 0.0 109.725 166.715 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.25 19.0 m -103.1 101.46 11.43 Favored 'General case' 0 CA--C 1.579 2.071 1 N-CA-C 99.991 -4.077 . . . . 0.0 99.991 166.519 . . . . . . . . 3 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' H ' ' HB3' ' A' ' 1' ' ' TYR . 90.9 m-85 -80.37 -102.27 0.03 OUTLIER 'General case' 0 CA--C 1.578 2.038 0 CA-C-O 116.744 -1.598 . . . . 0.0 109.48 -168.121 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 45.4 m -132.56 -93.65 0.35 Allowed 'General case' 0 C--N 1.359 1.015 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 173.141 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.522 3.4 ptm85 -135.62 -108.04 0.21 Allowed 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 114.983 -2.437 . . . . 0.0 108.029 -168.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -126.96 72.39 1.36 Allowed 'General case' 0 N--CA 1.498 1.964 0 CA-C-N 123.17 2.714 . . . . 0.0 110.406 169.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -147.62 -38.18 0.2 Allowed 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.706 2.002 . . . . 0.0 110.835 172.062 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -73.26 -47.68 41.05 Favored 'General case' 0 CA--C 1.557 1.231 0 CA-C-O 115.431 -2.223 . . . . 0.0 114.845 -170.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.5 tp -63.67 -41.72 98.15 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 122.553 2.433 . . . . 0.0 114.543 175.494 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.12 76.97 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 117.508 2.41 . . . . 0.0 117.508 168.726 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -69.63 -55.1 10.98 Favored 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 124.84 1.256 . . . . 0.0 111.491 167.579 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.17 -39.66 87.22 Favored 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 116.461 2.022 . . . . 0.0 116.461 179.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.17 -34.85 78.41 Favored 'General case' 0 N--CA 1.504 2.23 0 CA-C-N 121.268 1.849 . . . . 0.0 115.489 170.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.58 -38.81 78.69 Favored 'General case' 0 N--CA 1.503 2.208 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 168.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.69 -51.98 35.9 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 116.143 1.905 . . . . 0.0 116.143 173.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.85 -64.34 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.207 1.003 . . . . 0.0 112.659 -166.529 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 43.26 92.53 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.61 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -172.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.07 -88.32 1.4 Allowed Glycine 0 N--CA 1.479 1.565 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.193 -179.3 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 O-C-N 120.984 -1.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.289 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -147.05 -49.62 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 125.504 1.752 . . . . 0.0 115.571 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 37.22 124.35 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 C-N-CA 129.571 3.148 . . . . 0.0 116.09 -166.341 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.2 t -152.1 108.55 2.83 Favored Pre-proline 0 CA--C 1.596 2.725 0 N-CA-C 101.374 -3.565 . . . . 0.0 101.374 169.076 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.524 37.8 Cg_exo 63.14 -113.22 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.817 0 CA-C-N 126.886 3.495 . . . . 0.0 111.115 -178.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -119.38 65.03 0.79 Allowed 'General case' 0 CA--C 1.569 1.69 0 O-C-N 124.652 1.22 . . . . 0.0 109.756 166.413 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.7 t -100.43 92.48 5.18 Favored 'General case' 0 CA--C 1.567 1.616 0 N-CA-C 104.593 -2.373 . . . . 0.0 104.593 167.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -79.51 -92.97 0.04 OUTLIER 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 124.903 1.281 . . . . 0.0 109.197 -169.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.263 68.7 m -135.56 -100.46 0.22 Allowed 'General case' 0 C--N 1.358 0.936 0 N-CA-C 102.062 -3.31 . . . . 0.0 102.062 172.096 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.437 9.2 ptp180 -145.95 -68.2 0.28 Allowed 'General case' 0 N--CA 1.501 2.075 0 CA-C-N 123.556 2.889 . . . . 0.0 113.912 -169.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 99.0 p -130.09 -31.15 1.92 Allowed 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 116.226 1.936 . . . . 0.0 116.226 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.34 -36.44 82.22 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 167.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -74.48 153.77 39.0 Favored 'General case' 0 CA--C 1.573 1.829 0 C-N-CA 124.902 1.281 . . . . 0.0 110.817 170.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.397 67.2 mt 79.72 -53.35 0.4 Allowed 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 125.978 1.711 . . . . 0.0 111.02 -166.382 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -32.83 69.29 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 167.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -70.14 -56.56 6.56 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.299 1.44 . . . . 0.0 110.345 165.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 mt -71.36 -41.15 70.09 Favored 'General case' 0 CA--C 1.553 1.093 0 CA-C-O 114.897 -2.478 . . . . 0.0 116.846 -174.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.81 -36.44 82.38 Favored 'General case' 0 N--CA 1.507 2.385 0 CA-C-N 122.746 2.521 . . . . 0.0 115.657 -173.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -65.8 -36.2 82.85 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 116.671 -1.633 . . . . 0.0 114.667 167.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -67.97 -54.56 17.67 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 169.647 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 m-70 -142.51 107.44 4.91 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 104.177 -2.527 . . . . 0.0 104.177 -168.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.4 -44.42 24.92 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.1 87.27 1.33 Allowed Glycine 0 C--N 1.357 1.725 0 CA-C-N 119.781 1.173 . . . . 0.0 111.106 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.867 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.279 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -139.15 94.81 2.85 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 125.057 1.473 . . . . 0.0 108.68 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.63 120.95 22.53 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 -169.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 41.6 t -110.57 102.76 52.82 Favored Pre-proline 0 CA--C 1.593 2.6 0 N-CA-C 100.542 -3.873 . . . . 0.0 100.542 174.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 33.9 Cg_exo 63.73 -99.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.389 2.71 0 CA-C-N 126.678 3.421 . . . . 0.0 110.514 -174.244 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -128.63 64.81 1.43 Allowed 'General case' 0 N--CA 1.493 1.714 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.794 165.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -97.91 96.84 8.46 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 104.198 -2.519 . . . . 0.0 104.198 168.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.26 -97.68 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 116.775 -1.583 . . . . 0.0 109.776 -167.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.265 48.8 m -133.85 -101.4 0.25 Allowed 'General case' 0 C--N 1.358 0.943 0 N-CA-C 102.92 -2.993 . . . . 0.0 102.92 172.544 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.325 10.9 ptm180 -151.11 87.13 1.38 Allowed 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 122.518 2.417 . . . . 0.0 109.963 -169.116 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p 32.51 52.3 0.27 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 119.419 3.118 . . . . 0.0 119.419 -174.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.98 -28.91 0.78 Allowed 'General case' 0 N--CA 1.496 1.833 0 CA-C-N 112.783 -2.008 . . . . 0.0 112.959 170.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.0 -60.49 2.32 Favored 'General case' 0 CA--C 1.567 1.603 0 CA-C-O 116.587 -1.673 . . . . 0.0 111.566 -173.005 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -43.02 -50.11 6.0 Favored 'General case' 0 N--CA 1.505 2.323 0 CA-C-N 121.458 1.935 . . . . 0.0 115.417 174.479 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.66 68.55 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 118.294 2.702 . . . . 0.0 118.294 169.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.9 -53.26 18.77 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 124.874 1.269 . . . . 0.0 112.068 168.187 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.68 -46.38 82.62 Favored 'General case' 0 CA--C 1.563 1.471 0 CA-C-O 115.744 -2.074 . . . . 0.0 115.299 177.519 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.07 -6.61 23.66 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 173.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -74.65 -41.91 59.47 Favored 'General case' 0 N--CA 1.499 1.998 0 CA-C-O 116.686 -1.626 . . . . 0.0 112.079 165.546 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.8 mt -70.56 -50.76 34.08 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 169.228 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -128.1 107.15 9.57 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.209 1.003 . . . . 0.0 108.38 -169.093 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.89 94.11 3.11 Favored 'General case' 0 N--CA 1.484 1.273 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 176.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.32 -89.34 0.08 OUTLIER Glycine 0 N--CA 1.474 1.214 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.536 -178.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 120.861 -1.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -151.68 157.32 41.93 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 126.126 2.141 . . . . 0.0 108.563 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.48 126.65 9.87 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 105.534 -2.024 . . . . 0.0 105.534 165.059 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.8 t -132.71 96.54 18.31 Favored Pre-proline 0 CA--C 1.591 2.521 0 N-CA-C 100.709 -3.811 . . . . 0.0 100.709 166.356 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.512 48.4 Cg_exo 65.59 -95.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.733 0 CA-C-N 126.509 3.36 . . . . 0.0 111.582 -172.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -113.39 -7.29 13.48 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 116.575 2.065 . . . . 0.0 116.575 168.476 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -87.26 138.42 31.5 Favored 'General case' 0 CA--C 1.585 2.294 0 CA-C-N 108.701 -3.863 . . . . 0.0 105.121 166.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -121.99 -127.91 0.27 Allowed 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -167.248 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.2 m -110.84 -73.85 0.67 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 115.866 -2.016 . . . . 0.0 107.018 169.076 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.475 20.3 ptt-85 -149.85 -71.29 0.19 Allowed 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 123.179 2.718 . . . . 0.0 112.948 178.172 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.2 t -136.35 -31.1 0.9 Allowed 'General case' 0 N--CA 1.5 2.027 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 175.563 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -54.37 -34.58 61.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 169.609 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -77.42 -60.55 2.32 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 116.333 -1.794 . . . . 0.0 112.905 -169.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -47.91 -42.78 27.98 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 121.53 1.968 . . . . 0.0 115.328 177.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -30.29 64.21 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 117.704 2.483 . . . . 0.0 117.704 168.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.59 -55.94 14.94 Favored 'General case' 0 CA--C 1.577 1.985 0 CA-C-N 120.277 1.399 . . . . 0.0 112.068 168.51 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.07 -43.42 95.51 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 115.782 -2.056 . . . . 0.0 115.586 -179.917 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.71 -32.65 65.9 Favored 'General case' 0 N--CA 1.499 2.011 0 CA-C-N 121.604 2.002 . . . . 0.0 115.357 172.342 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -68.1 -38.58 82.48 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 116.797 -1.573 . . . . 0.0 113.932 168.025 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.87 -53.72 19.69 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 169.329 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -141.62 106.99 5.01 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 104.176 -2.527 . . . . 0.0 104.176 -168.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.32 -44.39 25.36 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -177.514 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.07 -87.34 1.32 Allowed Glycine 0 C--N 1.356 1.671 0 CA-C-N 119.808 1.186 . . . . 0.0 111.107 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 120.859 -1.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -132.97 102.47 5.63 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 125.325 1.641 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -72.25 127.02 31.27 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-N 118.57 0.623 . . . . 0.0 111.087 -171.737 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.6 t -127.72 105.38 20.9 Favored Pre-proline 0 CA--C 1.594 2.643 0 N-CA-C 101.412 -3.551 . . . . 0.0 101.412 167.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.529 32.3 Cg_exo 64.44 -114.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.393 2.881 0 CA-C-N 126.816 3.47 . . . . 0.0 110.79 -174.539 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -114.34 63.37 0.66 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.648 1.217 . . . . 0.0 109.88 166.184 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.4 t -96.92 91.18 5.5 Favored 'General case' 0 CA--C 1.569 1.674 0 N-CA-C 102.973 -2.973 . . . . 0.0 102.973 166.409 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . 0.25 23.9 m-85 -75.14 -98.57 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 116.835 -1.555 . . . . 0.0 110.343 -166.116 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 m -136.77 -97.82 0.21 Allowed 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 102.176 -3.268 . . . . 0.0 102.176 173.246 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.346 22.2 ptt-85 -149.92 82.56 1.39 Allowed 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 122.177 2.262 . . . . 0.0 109.968 -170.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.289 7.9 t 61.84 -41.73 0.14 Allowed 'General case' 0 N--CA 1.507 2.383 0 N-CA-C 119.03 2.974 . . . . 0.0 119.03 -177.217 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -53.44 -29.39 35.18 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 174.238 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.23 -60.67 2.28 Favored 'General case' 0 CA--C 1.565 1.526 0 CA-C-O 116.379 -1.772 . . . . 0.0 111.971 -174.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -48.08 -45.08 32.21 Favored 'General case' 0 N--CA 1.505 2.286 0 CA-C-N 121.64 2.018 . . . . 0.0 115.873 175.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.79 -29.23 69.12 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 117.443 2.386 . . . . 0.0 117.443 167.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . 0.257 3.5 ttmp? -68.85 -57.9 4.91 Favored 'General case' 0 CA--C 1.582 2.203 0 C-N-CA 125.247 1.419 . . . . 0.0 111.651 167.701 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -63.98 -37.77 88.64 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 115.101 -2.38 . . . . 0.0 116.475 179.164 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.8 mt -61.32 -37.88 84.87 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 122.622 2.465 . . . . 0.0 116.796 -179.016 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.48 -38.06 88.67 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-O 116.878 -1.534 . . . . 0.0 114.683 169.138 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.02 -53.46 31.09 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 169.512 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -142.1 107.7 5.08 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 -168.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.36 -44.13 25.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 116.463 2.023 . . . . 0.0 116.463 -177.64 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.19 87.33 1.34 Allowed Glycine 0 C--N 1.356 1.693 0 CA-C-N 119.805 1.184 . . . . 0.0 111.091 -179.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 120.935 -1.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -142.56 -54.04 0.41 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 125.666 1.854 . . . . 0.0 113.764 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.476 ' H ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER 35.17 103.69 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 129.191 2.996 . . . . 0.0 113.122 -164.344 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.9 t -133.07 100.65 14.15 Favored Pre-proline 0 CA--C 1.592 2.573 0 N-CA-C 100.801 -3.777 . . . . 0.0 100.801 -172.536 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.514 31.7 Cg_exo 62.75 -102.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.736 0 CA-C-N 126.704 3.43 . . . . 0.0 110.41 -174.001 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.4 p -124.7 63.26 1.12 Allowed 'General case' 0 CA--C 1.57 1.719 0 CA-C-N 114.447 -1.251 . . . . 0.0 109.807 165.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.476 ' HA ' ' H ' ' A' ' 2' ' ' THR . 11.0 t -102.88 95.79 6.4 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 101.462 -3.532 . . . . 0.0 101.462 164.804 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.15 -95.4 0.02 OUTLIER 'General case' 0 CA--C 1.576 1.973 0 CA-C-O 116.832 -1.556 . . . . 0.0 110.2 -166.509 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.25 49.9 m -136.71 -95.7 0.22 Allowed 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 102.407 -3.182 . . . . 0.0 102.407 170.829 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.441 26.2 ptt180 -139.56 -65.58 0.47 Allowed 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 122.18 2.264 . . . . 0.0 113.776 -169.259 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 m -139.06 -29.72 0.76 Allowed 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.292 1.96 . . . . 0.0 116.292 175.802 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -59.56 -35.77 74.9 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.312 2.338 . . . . 0.0 117.312 170.049 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -74.18 -57.44 3.95 Favored 'General case' 0 N--CA 1.489 1.476 0 CA-C-O 116.685 -1.626 . . . . 0.0 113.86 -169.764 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -51.83 -39.22 58.45 Favored 'General case' 0 N--CA 1.5 2.074 0 CA-C-N 121.109 1.777 . . . . 0.0 115.356 176.208 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.51 -30.46 59.82 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 117.266 2.321 . . . . 0.0 117.266 168.035 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -64.94 -57.01 9.87 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 120.488 1.494 . . . . 0.0 111.989 168.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -69.29 -44.38 71.92 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 115.485 -2.198 . . . . 0.0 115.261 -178.342 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 -28.08 60.96 Favored 'General case' 0 N--CA 1.499 2.017 0 CA-C-N 121.943 2.156 . . . . 0.0 115.032 177.1 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -70.82 -37.75 73.23 Favored 'General case' 0 N--CA 1.503 2.183 0 CA-C-O 116.527 -1.701 . . . . 0.0 113.381 167.19 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.9 -53.88 15.97 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 169.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 -142.62 121.01 12.37 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -167.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.6 94.37 3.08 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 176.243 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 176.7 -89.36 0.08 OUTLIER Glycine 0 N--CA 1.475 1.264 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.559 -178.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 120.972 -1.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.302 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.459 ' HB2' ' H ' ' A' ' 8' ' ' PHE . 90.4 m-85 -149.14 158.94 44.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 125.802 1.939 . . . . 0.0 110.728 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.87 123.19 9.61 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 162.164 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.79 95.42 6.32 Favored Pre-proline 0 CA--C 1.59 2.504 0 N-CA-C 100.504 -3.887 . . . . 0.0 100.504 169.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.532 36.3 Cg_exo 63.73 -122.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.39 2.763 0 CA-C-N 126.415 3.327 . . . . 0.0 111.207 -172.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -80.58 -18.64 47.67 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 165.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.4 m -98.87 100.53 11.72 Favored 'General case' 0 CA--C 1.588 2.417 2 N-CA-C 98.379 -4.674 . . . . 0.0 98.379 160.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.459 ' H ' ' HB2' ' A' ' 1' ' ' TYR 0.254 83.0 m-85 -79.98 -122.07 0.02 OUTLIER 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 117.449 -1.263 . . . . 0.0 108.367 -165.755 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.312 43.1 m -111.48 -107.23 0.36 Allowed 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 101.54 -3.504 . . . . 0.0 101.54 167.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.251 6.3 mmm180 -135.03 -60.98 0.76 Allowed 'General case' 0 CA--C 1.557 1.213 0 CA-C-O 116.977 -1.487 . . . . 0.0 114.809 -164.122 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.4 p -139.04 -28.68 0.79 Allowed 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 116.86 2.17 . . . . 0.0 116.86 171.703 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.39 -40.95 88.21 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 116.478 2.029 . . . . 0.0 116.478 169.222 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -72.79 -49.41 30.72 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 116.361 -1.781 . . . . 0.0 115.225 -169.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -58.38 -38.99 78.43 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 121.078 1.763 . . . . 0.0 115.064 176.849 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.23 -40.87 58.66 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 168.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.503 2.197 0 CA-C-N 121.059 1.754 . . . . 0.0 113.715 169.254 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.46 -44.68 61.99 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 115.637 -2.125 . . . . 0.0 114.742 -175.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.61 -17.48 62.89 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.654 2.024 . . . . 0.0 115.969 171.701 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -72.93 -45.86 55.77 Favored 'General case' 0 N--CA 1.5 2.036 0 CA-C-O 116.851 -1.547 . . . . 0.0 112.696 167.248 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.9 mt -73.15 -55.84 5.93 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 173.295 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -140.05 117.3 11.28 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 -167.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.01 -44.19 2.06 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -178.603 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.1 179.95 45.99 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 123.658 1.699 . . . . 0.0 113.712 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.66 0 O-C-N 120.743 -1.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.33 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.43 94.77 2.78 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 124.974 1.421 . . . . 0.0 108.311 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.56 119.48 20.45 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 -169.799 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -110.95 103.05 54.24 Favored Pre-proline 0 CA--C 1.592 2.57 0 N-CA-C 100.583 -3.858 . . . . 0.0 100.583 173.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . 2.52 32.4 Cg_exo 64.16 -103.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.392 2.821 0 CA-C-N 126.466 3.345 . . . . 0.0 110.301 -173.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.0 p -124.35 64.3 1.08 Allowed 'General case' 0 CA--C 1.569 1.689 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.684 165.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' PYA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -98.1 94.54 6.89 Favored 'General case' 0 CA--C 1.563 1.468 0 N-CA-C 104.092 -2.558 . . . . 0.0 104.092 168.28 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -78.77 -95.91 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.1 0 CA-C-O 117.181 -1.39 . . . . 0.0 109.763 -167.507 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . 0.251 50.3 m -130.14 -90.15 0.47 Allowed 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 102.834 -3.024 . . . . 0.0 102.834 169.807 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.459 8.9 ptp180 -136.72 -69.28 0.47 Allowed 'General case' 0 CA--C 1.565 1.549 0 CA-C-N 121.89 2.132 . . . . 0.0 112.281 -171.187 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.3 t -138.12 -32.91 0.71 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 172.128 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -53.83 -28.96 38.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 118.949 2.944 . . . . 0.0 118.949 173.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -79.26 -64.53 1.16 Allowed 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 116.349 -1.786 . . . . 0.0 112.446 -168.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -50.03 -42.38 49.34 Favored 'General case' 0 N--CA 1.503 2.177 0 CA-C-N 121.684 2.038 . . . . 0.0 115.536 177.103 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.95 -30.9 71.55 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 117.416 2.376 . . . . 0.0 117.416 167.754 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -69.32 -57.33 5.45 Favored 'General case' 0 CA--C 1.583 2.221 0 C-N-CA 125.194 1.398 . . . . 0.0 111.222 167.305 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.29 -35.26 80.47 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 114.688 -2.577 . . . . 0.0 116.468 -178.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.2 mt -63.82 -38.61 91.73 Favored 'General case' 0 N--CA 1.505 2.293 0 CA-C-N 123.18 2.718 . . . . 0.0 116.621 179.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -65.13 -38.11 89.58 Favored 'General case' 0 N--CA 1.503 2.192 0 CA-C-O 116.803 -1.57 . . . . 0.0 114.776 169.296 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.16 -53.39 30.99 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 169.438 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -142.09 107.54 5.04 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 -168.643 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.09 -43.96 27.6 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -177.734 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.84 -89.31 0.08 OUTLIER Glycine 0 C--N 1.353 1.526 0 CA-C-N 119.727 1.149 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 120.948 -1.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_