data_1srk_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 1srk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.3 t -56.42 137.55 52.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.657 0.741 . . . . 0.0 111.552 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.77 -36.69 84.27 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.286 -1.324 . . . . 0.0 111.24 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.487 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mm -88.81 -55.81 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.992 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -95.16 -128.52 0.14 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.876 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -153.66 36.17 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.232 0.539 . . . . 0.0 109.926 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 m -83.35 122.35 28.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.338 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.39 135.67 33.54 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.556 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -125.0 149.93 47.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.575 0.226 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -45.94 84.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.962 0.411 . . . . 0.0 111.689 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.322 -0.629 0 CA-C-O 120.838 0.352 . . . . 0.0 111.236 -176.577 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.6 t60 . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -48.44 -37.69 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.944 -170.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.27 -32.05 46.71 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.6 m -56.15 -35.28 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 111.429 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 94.4 m-70 . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.691 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.3 p . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.13 55.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.505 0.669 . . . . 0.0 110.759 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -68.03 -35.96 79.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.135 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.78 -52.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.235 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -101.7 -123.38 0.18 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.908 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -157.26 36.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.592 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -85.99 119.42 26.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.691 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -92.62 134.78 34.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.087 -0.383 . . . . 0.0 110.74 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -128.24 150.56 49.98 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.4 p -65.66 -45.75 81.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.844 0.354 . . . . 0.0 111.919 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 C--N 1.317 -0.821 0 O-C-N 122.041 -0.412 . . . . 0.0 111.317 -176.442 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.4 t60 . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 120.699 0.285 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.43 -35.97 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -170.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.641 ' HB2' ' HZ3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -52.39 -32.93 41.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -176.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 30' ' ' HIS . 26.5 m -56.0 -37.96 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.665 0.269 . . . . 0.0 111.222 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' N ' HG23 ' A' ' 29' ' ' VAL . 90.7 m-70 . . . . . 0 C--O 1.235 0.301 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.9 p . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.82 133.5 55.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.354 0.597 . . . . 0.0 111.293 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.499 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.7 mm -79.73 -52.02 15.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.441 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 p -96.24 -124.38 0.12 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 mt -159.96 37.46 0.18 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.464 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.6 m -82.29 123.0 28.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.045 176.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -86.42 130.87 34.35 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.208 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.464 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 17.6 m-85 -120.45 143.8 48.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.014 0.435 . . . . 0.0 110.979 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 p -59.34 -36.14 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.6 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -175.241 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--O 1.224 -0.271 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' LEU . 38.0 tp -48.9 -37.63 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -167.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -53.82 -31.57 49.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.7 m -54.71 -37.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.427 -177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.437 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.2 m-70 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p . . . . . 0 N--CA 1.448 -0.538 0 CA-C-O 121.193 0.52 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.35 133.53 54.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.864 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -68.13 -36.43 79.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.493 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 HG23 ' CG ' ' A' ' 30' ' ' HIS . 40.8 mm -78.31 -49.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.9 -172.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -102.82 -122.53 0.19 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt -159.54 34.92 0.19 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.932 0.493 . . . . 0.0 109.934 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 m -82.88 124.01 29.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.681 174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.65 133.74 36.67 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.554 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -124.02 151.97 43.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.7 p -65.76 -38.18 88.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.538 -171.569 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.438 ' O ' HG23 ' A' ' 29' ' ' VAL . 65.0 t60 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 27' ' ' LEU . 40.5 tp -48.8 -33.18 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.249 -169.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.56 -32.13 39.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG21 ' N ' ' A' ' 30' ' ' HIS . 33.1 m -58.58 -36.78 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.446 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.501 ' N ' HG21 ' A' ' 29' ' ' VAL . 93.0 m-70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 122.224 -0.298 . . . . 0.0 111.691 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.706 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.27 136.57 57.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.273 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -71.82 -40.23 69.25 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.697 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.449 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 44.8 mm -79.26 -51.25 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.343 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -96.42 -124.89 0.13 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.676 -0.81 . . . . 0.0 108.85 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.8 mt -160.09 39.66 0.18 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.234 0.54 . . . . 0.0 110.124 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 20.4 m -88.64 121.12 30.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.904 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.09 133.23 34.03 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.83 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.403 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 18.4 m-85 -124.01 144.75 49.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -66.47 -52.64 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.21 0.528 . . . . 0.0 112.236 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.948 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.593 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.7 t60 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -50.73 -36.77 38.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -169.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -54.06 -30.58 48.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 26' ' ' HIS . 30.5 m -58.0 -36.59 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.637 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.486 ' N ' HG23 ' A' ' 29' ' ' VAL . 94.3 m-70 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.23 0.538 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.958 0.409 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.02 135.39 57.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.398 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -68.22 -38.62 82.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.243 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -79.24 -51.83 16.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.409 -173.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.2 -121.87 0.16 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.861 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 mt -159.84 34.03 0.18 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.96 0.504 . . . . 0.0 110.422 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.469 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 28.8 m -83.51 124.92 31.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.943 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.29 132.9 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.868 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.469 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 21.8 m-85 -128.19 146.19 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p -67.65 -58.39 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.914 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.32 -0.703 0 O-C-N 122.319 -0.238 . . . . 0.0 111.29 -179.758 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.638 ' O ' HG21 ' A' ' 29' ' ' VAL . 72.4 t60 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -48.65 -39.94 26.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.609 -168.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -55.92 -25.97 45.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.638 HG21 ' O ' ' A' ' 26' ' ' HIS . 23.6 m -57.49 -36.51 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 122.085 -0.384 . . . . 0.0 111.002 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.779 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 9' ' ' VAL . 6.2 p . . . . . 0 N--CA 1.442 -0.853 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.24 133.99 56.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.206 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -74.06 -32.56 63.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 41.2 mm -78.1 -50.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.978 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.3 p -104.52 -123.92 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.59 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 mt -160.02 39.48 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.294 0.568 . . . . 0.0 110.145 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -86.8 125.47 33.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.827 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.59 138.78 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.33 147.82 50.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.642 0.258 . . . . 0.0 110.481 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.1 p -60.46 -44.25 96.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 0.0 111.6 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.29 -171.014 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.6 t60 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -53.31 -34.89 59.23 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 m -54.13 -36.41 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.412 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 93.4 m-70 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 t -59.81 138.9 57.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.852 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -68.13 -43.46 78.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.627 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 45.4 mm -79.61 -50.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.813 -169.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -99.15 -124.54 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.246 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 14' ' ' LEU . 47.5 mt -159.13 36.09 0.21 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 174.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -80.84 123.74 28.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.527 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -91.31 135.55 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.58 0.229 . . . . 0.0 110.739 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -129.18 143.52 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.0 p -63.6 -58.83 5.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.827 0.346 . . . . 0.0 111.855 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p . . . . . 0 C--N 1.318 -0.796 0 O-C-N 122.088 -0.383 . . . . 0.0 111.705 -177.673 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.0 t60 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.32 -32.08 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.64 -36.67 62.31 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG21 ' N ' ' A' ' 30' ' ' HIS . 29.8 m -55.16 -40.87 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 122.039 -0.413 . . . . 0.0 111.515 -176.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.514 ' N ' HG21 ' A' ' 29' ' ' VAL . 91.4 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.1 p . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.6 131.75 47.88 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.758 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -70.42 -32.9 70.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.43 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.474 HG23 ' CG ' ' A' ' 30' ' ' HIS . 43.3 mm -77.06 -48.52 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.68 -175.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -104.07 -121.97 0.2 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.368 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -160.71 37.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 122.97 0.508 . . . . 0.0 110.25 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -83.77 125.27 31.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -95.6 131.8 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.776 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -121.93 149.39 43.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.754 0.311 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -69.75 -34.69 74.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.811 -172.196 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.9 t60 . . . . . 0 C--O 1.226 -0.154 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 tp -49.68 -39.07 35.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -165.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -55.36 -31.56 61.86 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.9 m -51.93 -33.57 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.042 0.449 . . . . 0.0 111.731 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.474 ' CG ' HG23 ' A' ' 12' ' ' ILE . 93.4 m-70 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.97 134.58 56.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.637 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -66.97 -39.88 87.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.667 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mm -78.33 -48.36 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.19 -171.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 30.7 p -103.67 -122.9 0.2 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.609 172.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 55.3 mt -160.38 36.35 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 123.04 0.536 . . . . 0.0 109.772 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.455 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 33.0 m -84.21 124.76 31.54 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.824 175.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 138.04 31.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.644 0.259 . . . . 0.0 110.971 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 28.2 m-85 -136.48 150.51 48.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.641 0.257 . . . . 0.0 110.445 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -71.81 -63.51 1.12 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 120.94 0.4 . . . . 0.0 111.559 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.32 -0.694 0 O-C-N 122.197 -0.314 . . . . 0.0 111.407 -179.428 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.504 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.3 t60 . . . . . 0 C--O 1.226 -0.166 0 N-CA-C 111.445 0.165 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.5 tp -48.27 -39.5 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.96 -23.42 53.7 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 26' ' ' HIS . 20.8 m -57.47 -38.1 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.128 0.422 . . . . 0.0 110.286 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 179.319 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 6.0 p . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.98 134.82 57.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.276 0.56 . . . . 0.0 110.693 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -70.94 -37.67 72.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.263 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -79.71 -52.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.252 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -99.23 -123.61 0.15 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.889 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -157.64 35.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.049 0.452 . . . . 0.0 110.199 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 m -82.34 121.59 26.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.05 138.61 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.75 141.64 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 110.961 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -61.03 -36.72 80.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.876 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.448 -0.571 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.524 -173.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.641 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.4 t60 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.35 -39.17 45.59 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -166.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -52.94 -28.95 25.97 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 26' ' ' HIS . 23.2 m -57.31 -36.3 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.464 ' N ' HG21 ' A' ' 29' ' ' VAL . 93.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 9' ' ' VAL . 8.4 p . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.9 t -58.03 136.51 57.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.21 0.528 . . . . 0.0 110.95 -176.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -70.98 -37.32 72.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.794 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.18 -51.78 15.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.579 -176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.33 -124.63 0.16 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.797 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 mt -158.1 36.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.163 0.506 . . . . 0.0 110.391 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 m -82.77 122.51 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.995 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -85.15 138.34 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 0.0 110.977 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -136.2 151.57 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 p -63.72 -41.24 98.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.289 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.464 -168.236 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.8 t60 . . . . . 0 C--O 1.221 -0.399 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -49.17 -39.49 29.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -168.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -60.13 -22.98 63.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 30' ' ' HIS . 33.7 m -57.57 -36.12 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 118.655 0.662 . . . . 0.0 110.941 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' N ' HG22 ' A' ' 29' ' ' VAL . 93.6 m-70 . . . . . 0 C--N 1.319 -0.737 0 CA-C-O 121.297 0.57 . . . . 0.0 109.614 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 5.2 p . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.46 135.74 57.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.74 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.44 ' NH1' HD12 ' A' ' 12' ' ' ILE . 8.4 ptm180 -76.33 -30.93 57.86 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.233 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 ' CG ' ' A' ' 30' ' ' HIS . 46.7 mm -79.49 -54.31 11.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.509 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.6 -124.85 0.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.306 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 mt -157.52 36.92 0.27 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.212 0.529 . . . . 0.0 109.82 175.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 m -80.32 123.26 27.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.783 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.95 140.49 29.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.82 151.09 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 p -66.8 -38.23 86.1 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.223 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.323 -0.575 0 O-C-N 121.894 -0.504 . . . . 0.0 111.567 -169.562 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.463 ' O ' HG21 ' A' ' 29' ' ' VAL . 68.6 t60 . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -51.47 -36.42 44.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.055 -167.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -54.57 -31.52 56.89 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG22 ' N ' ' A' ' 30' ' ' HIS . 21.4 m -54.16 -35.78 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 120.954 0.407 . . . . 0.0 111.625 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.58 ' N ' HG22 ' A' ' 29' ' ' VAL . 95.6 m-70 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.6 p . . . . . 0 N--CA 1.44 -0.961 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -58.61 134.99 57.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.03 -40.56 82.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.332 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.3 -54.33 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.456 -172.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -94.65 -123.92 0.1 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.124 -0.631 . . . . 0.0 109.49 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 mt -159.01 35.32 0.21 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.085 0.469 . . . . 0.0 110.197 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.4 m -82.32 122.69 28.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.541 174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.15 139.86 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.468 0.175 . . . . 0.0 110.688 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -137.7 140.57 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -62.44 -43.84 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.631 . . . . 0.0 111.965 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.317 -0.825 0 O-C-N 121.948 -0.47 . . . . 0.0 110.839 -177.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.1 t60 . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 111.501 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -49.05 -33.65 11.83 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -51.16 -31.22 19.17 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.0 m -61.17 -39.04 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.442 -179.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.95 135.74 57.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.297 0.57 . . . . 0.0 111.191 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -72.72 -36.17 67.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.466 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 HG21 ' CG ' ' A' ' 30' ' ' HIS . 47.1 mm -79.64 -52.7 14.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.267 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.3 p -96.82 -125.27 0.13 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 171.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 14' ' ' LEU . 54.7 mt -160.27 36.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 110.033 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.4 m -82.66 123.3 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.81 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.34 135.27 33.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 0.0 110.515 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 17.4 m-85 -124.7 148.71 47.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.89 0.376 . . . . 0.0 110.555 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.0 p -58.36 -36.31 73.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.989 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -172.846 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.8 t60 . . . . . 0 C--O 1.225 -0.236 0 CA-C-O 120.439 0.162 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.06 -38.14 36.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.404 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.11 -30.26 67.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.3 m -51.5 -31.91 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.747 0.308 . . . . 0.0 111.44 -175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CG ' HG21 ' A' ' 12' ' ' ILE . 97.2 m-70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.717 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -63.72 136.91 57.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.057 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -70.49 -35.96 73.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.4 mm -81.6 -54.98 8.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.745 -174.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.07 -125.13 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -159.57 34.18 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.342 0.591 . . . . 0.0 109.906 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -80.07 120.28 24.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.55 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.92 127.82 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -112.24 148.63 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 110.982 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.9 p -62.03 -46.39 89.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.744 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -178.516 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 t60 . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.7 tp -48.64 -40.24 27.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.52 -165.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -56.34 -26.79 53.78 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 30' ' ' HIS . 28.1 m -54.83 -37.26 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 118.047 0.385 . . . . 0.0 111.369 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' N ' HG22 ' A' ' 29' ' ' VAL . 95.1 m-70 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.835 -177.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.96 137.11 51.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.486 0.66 . . . . 0.0 111.159 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 HH21 HD21 ' A' ' 27' ' ' LEU . 63.4 mtm180 -69.1 -37.74 78.57 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.341 -178.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.8 mm -85.33 -55.6 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.03 -174.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.31 -123.92 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.641 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.7 mt -158.22 33.87 0.24 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.401 . . . . 0.0 109.958 175.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 m -82.83 124.76 30.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 174.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.38 138.96 30.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.608 0.242 . . . . 0.0 111.292 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.79 143.83 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.5 p -56.95 -35.66 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.597 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.32 -0.7 0 O-C-N 122.013 -0.429 . . . . 0.0 111.127 -175.476 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.8 t60 . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.459 HD21 HH21 ' A' ' 11' ' ' ARG . 59.9 tp -48.8 -38.22 21.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.87 . . . . 0.0 113.114 -169.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -53.72 -32.41 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 m -53.75 -35.62 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.941 0.4 . . . . 0.0 111.602 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 96.4 m-70 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.067 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.2 p . . . . . 0 C--O 1.238 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.45 133.83 56.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.002 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -69.55 -35.41 75.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.12 -55.18 10.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.557 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.39 -124.14 0.11 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.0 mt -160.44 40.61 0.17 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.947 0.499 . . . . 0.0 109.839 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 30.3 m -87.43 125.1 34.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.041 176.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.74 138.99 30.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.504 -0.123 . . . . 0.0 110.738 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.414 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 26.2 m-85 -135.69 148.62 48.97 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 p -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.321 -0.657 0 O-C-N 121.682 -0.636 . . . . 0.0 111.529 -173.509 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.0 t60 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.36 -32.46 17.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -170.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -52.61 -36.45 56.35 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -55.63 -39.68 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.941 0.401 . . . . 0.0 110.422 -176.149 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.736 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.2 p . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.96 131.45 47.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.49 0.662 . . . . 0.0 110.657 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' NH1' HD12 ' A' ' 12' ' ' ILE . 8.0 ptm180 -68.17 -30.16 69.2 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.048 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 HD12 ' NH1' ' A' ' 11' ' ' ARG . 41.4 mm -84.21 -54.36 9.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.89 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.78 -124.78 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.77 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 14' ' ' LEU . 73.6 mt -155.05 37.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 0.0 110.55 177.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.5 m -87.35 121.38 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.736 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.03 135.4 33.57 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.948 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.46 155.71 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.4 p -73.19 -44.79 59.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.199 0.523 . . . . 0.0 111.602 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.627 -176.205 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' O ' HG21 ' A' ' 29' ' ' VAL . 67.7 t60 . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.0 tp -49.74 -37.81 31.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -53.71 -30.68 44.99 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 26' ' ' HIS . 22.9 m -56.62 -34.74 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.588 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' N ' HG22 ' A' ' 29' ' ' VAL . 93.7 m-70 . . . . . 0 C--O 1.235 0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.792 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.1 p . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -57.26 132.46 53.1 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.62 0.724 . . . . 0.0 111.182 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -67.91 -37.48 81.76 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.945 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -81.73 -51.85 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.504 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.88 -124.11 0.16 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.44 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -157.39 37.94 0.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.781 0.324 . . . . 0.0 110.933 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.444 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 18.1 m -90.08 121.22 31.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.792 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.48 129.31 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.22 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.444 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 5.6 m-85 -120.2 151.51 39.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 48.4 p -67.28 -45.51 76.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.918 0.39 . . . . 0.0 111.813 -177.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p . . . . . 0 C--N 1.317 -0.839 0 O-C-N 121.889 -0.507 . . . . 0.0 111.45 -176.799 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 t60 . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.42 -33.1 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.951 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -53.43 -29.04 33.27 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 m -59.08 -39.85 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.356 178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.331 177.753 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -174.81 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.661 0.267 . . . . 0.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -162.38 -152.93 0.25 Allowed 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.17 52.72 50.13 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.328 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.485 ' HG2' ' HD2' ' A' ' 7' ' ' PRO . 37.3 ttmt -151.16 158.92 44.6 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.518 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 30.0 tpt180 -75.12 -31.69 1.15 Allowed Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -168.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 93.5 Cg_endo -72.29 28.17 0.26 Allowed 'Trans proline' 0 N--CA 1.483 0.877 0 C-N-CA 122.318 2.012 . . . . 0.0 113.914 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.734 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.6 m-30 -94.29 53.18 1.68 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.377 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.528 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.27 142.73 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.3 t -56.42 137.55 52.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.657 0.741 . . . . 0.0 111.552 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.77 -36.69 84.27 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.286 -1.324 . . . . 0.0 111.24 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.487 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mm -88.81 -55.81 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.992 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -95.16 -128.52 0.14 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.876 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -153.66 36.17 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.232 0.539 . . . . 0.0 109.926 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 m -83.35 122.35 28.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.338 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.39 135.67 33.54 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.556 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.734 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 19.3 m-85 -125.0 149.93 47.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.575 0.226 . . . . 0.0 110.434 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -45.94 84.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.962 0.411 . . . . 0.0 111.689 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 p -119.16 148.04 43.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.838 0.352 . . . . 0.0 111.236 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.91 -37.44 63.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.579 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.92 80.2 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.26 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.6 -43.24 97.51 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.123 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.38 -39.78 94.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.484 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.66 73.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.918 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 38.2 ptt180 -66.65 -35.97 81.43 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.95 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -57.4 -41.63 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.338 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -48.44 -37.69 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.944 -170.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.0 pttp -53.27 -32.05 46.71 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 33' ' ' THR . 18.6 m -56.15 -35.28 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 111.429 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.487 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 94.4 m-70 -77.74 42.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t 175.94 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.394 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.439 ' C ' ' HG1' ' A' ' 33' ' ' THR . 26.0 t70 -72.24 -66.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 179.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 90.6 m -163.15 136.77 5.86 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HA ' ' HB ' ' A' ' 29' ' ' VAL . 92.5 mt -76.08 132.08 39.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.061 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.34 -177.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -65.85 -41.46 91.65 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.549 0.204 . . . . 0.0 111.549 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -67.18 127.01 31.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.503 ' H ' HG22 ' A' ' 19' ' ' THR . . . 68.76 114.09 0.02 OUTLIER Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.593 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -173.3 133.71 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -174.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.687 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 42.9 mmt-85 -75.48 -37.7 2.48 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -169.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.687 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 36.3 Cg_endo -60.1 4.3 0.19 Allowed 'Trans proline' 0 N--CA 1.483 0.897 0 C-N-CA 123.208 2.605 . . . . 0.0 115.009 -176.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.77 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.0 m-30 -79.49 50.17 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.932 0.396 . . . . 0.0 110.608 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.691 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.3 p -77.57 140.07 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.13 55.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.505 0.669 . . . . 0.0 110.759 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -68.03 -35.96 79.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.135 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.78 -52.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.235 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -101.7 -123.38 0.18 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.908 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -157.26 36.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.592 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -85.99 119.42 26.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.691 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -92.62 134.78 34.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.087 -0.383 . . . . 0.0 110.74 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.77 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 8.8 m-85 -128.24 150.56 49.98 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.467 ' HB ' ' HA2' ' A' ' 4' ' ' GLY . 29.4 p -65.66 -45.75 81.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.844 0.354 . . . . 0.0 111.919 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 4' ' ' GLY . 78.4 p -112.91 147.95 35.98 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 122.041 -0.412 . . . . 0.0 111.317 -176.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -54.83 -37.59 66.35 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.149 173.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.75 79.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.141 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -66.31 -41.63 89.44 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.03 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.64 -40.49 97.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.355 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.48 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 39.5 ptt180 -68.3 -35.77 78.34 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.828 0.346 . . . . 0.0 110.353 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -58.05 -42.33 85.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.46 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.43 -35.97 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -170.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.641 ' HB2' ' HZ3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -52.39 -32.93 41.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -176.326 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG23 ' N ' ' A' ' 30' ' ' HIS . 26.5 m -56.0 -37.96 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.665 0.269 . . . . 0.0 111.222 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' N ' HG23 ' A' ' 29' ' ' VAL . 90.7 m-70 -82.25 25.94 0.57 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -176.39 31.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -179.29 130.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.878 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 p -78.52 132.74 37.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -77.56 128.65 34.51 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.22 0.533 . . . . 0.0 110.228 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.314 -0.963 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.96 179.748 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -63.2 -45.96 89.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 110.811 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.655 ' HA ' HG21 ' A' ' 19' ' ' THR . 70.0 m -164.22 125.44 2.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.82 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -130.13 1.05 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.774 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -145.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 172.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.521 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 76.8 ttt180 -159.07 65.74 2.85 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-O 121.369 0.604 . . . . 0.0 111.279 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD2' ' H ' ' A' ' 8' ' ' PHE . 1.5 Cg_endo -86.12 -31.47 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.853 3.036 . . . . 0.0 112.789 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.417 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 13.8 m-85 -76.97 134.72 38.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.788 -165.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.9 p -130.92 139.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.82 133.5 55.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.354 0.597 . . . . 0.0 111.293 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.499 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.7 mm -79.73 -52.02 15.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.441 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 p -96.24 -124.38 0.12 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 mt -159.96 37.46 0.18 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.464 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.6 m -82.29 123.0 28.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.045 176.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -86.42 130.87 34.35 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.208 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 17.6 m-85 -120.45 143.8 48.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.014 0.435 . . . . 0.0 110.979 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.521 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 41.7 p -59.34 -36.14 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.6 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.655 HG21 ' HA ' ' A' ' 3' ' ' SER . 77.0 p -138.62 152.12 47.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -175.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -56.54 -33.81 66.45 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.988 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.59 81.69 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 80.1 m-20 -68.09 -41.66 81.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.661 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.9 t -61.74 -40.88 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.37 89.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 40.7 ptt180 -65.98 -32.61 74.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.361 0.6 . . . . 0.0 109.876 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -65.09 -45.77 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.028 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 27' ' ' LEU . 38.0 tp -48.9 -37.63 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -167.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.7 ptmt -53.82 -31.57 49.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 34' ' ' LEU . 26.7 m -54.71 -37.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.427 -177.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.2 m-70 -79.82 25.12 0.36 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.597 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -179.95 34.97 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.388 0.613 . . . . 0.0 110.848 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -169.0 149.79 4.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -77.4 135.95 38.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.019 0.438 . . . . 0.0 111.907 -174.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD21 HG11 ' A' ' 29' ' ' VAL . 92.6 mt -79.67 43.62 0.58 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.189 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 t . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.515 -179.015 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.939 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -70.17 136.81 50.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.544 0.212 . . . . 0.0 111.003 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.6 m 61.51 -139.93 0.5 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.457 -176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.18 -45.37 1.16 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.7 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.78 137.57 57.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 80.5 mtm180 -106.34 39.69 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.738 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 71.7 Cg_endo -90.24 12.62 2.45 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 121.766 1.644 . . . . 0.0 110.348 171.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.738 ' CD1' ' HD2' ' A' ' 7' ' ' PRO . 4.6 m-30 -80.15 52.45 1.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.011 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p -76.72 140.3 17.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.193 0.52 . . . . 0.0 109.962 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.35 133.53 54.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.864 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -68.13 -36.43 79.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.493 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 HG23 ' CG ' ' A' ' 30' ' ' HIS . 40.8 mm -78.31 -49.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.9 -172.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -102.82 -122.53 0.19 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt -159.54 34.92 0.19 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.932 0.493 . . . . 0.0 109.934 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 m -82.88 124.01 29.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.681 174.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.65 133.74 36.67 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.554 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.639 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 13.0 m-85 -124.02 151.97 43.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.511 ' HA ' ' HG2' ' A' ' 6' ' ' ARG . 44.7 p -65.76 -38.18 88.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p -132.1 149.57 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.538 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -54.09 -36.89 63.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.26 -46.88 69.41 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.265 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -65.11 -46.0 82.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.506 176.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.6 -42.5 92.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.45 85.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' HD2' ' N ' ' A' ' 26' ' ' HIS . 7.0 ppt_? -72.72 -29.29 63.24 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.546 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 65.0 t60 -59.84 -44.84 93.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.779 176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' ' 27' ' ' LEU . 40.5 tp -48.8 -33.18 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.249 -169.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 18.6 ptpt -52.56 -32.13 39.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG21 ' N ' ' A' ' 30' ' ' HIS . 33.1 m -58.58 -36.78 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.446 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.501 ' N ' HG21 ' A' ' 29' ' ' VAL . 93.0 m-70 -78.26 43.1 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.224 -0.298 . . . . 0.0 111.691 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 28' ' ' LYS . 10.0 t -177.93 -45.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.765 176.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.93 -49.96 16.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -161.02 130.35 4.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.516 0.198 . . . . 0.0 110.517 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.08 -42.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.063 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.85 -178.882 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -65.72 141.56 58.31 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.283 0.233 . . . . 0.0 110.837 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t 73.24 134.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.934 0.771 . . . . 0.0 111.132 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' H ' HG22 ' A' ' 19' ' ' THR . . . -72.36 -124.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.1 -0.954 . . . . 0.0 113.107 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -160.46 -170.65 2.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.573 0.349 . . . . 0.0 110.451 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.644 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 19.0 mmt85 -77.24 -34.44 1.2 Allowed Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -170.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 58.5 Cg_endo -65.87 13.03 0.12 Allowed 'Trans proline' 0 N--CA 1.483 0.892 0 C-N-CA 122.775 2.316 . . . . 0.0 114.76 -175.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.759 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.1 m-30 -85.02 48.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.706 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p -77.2 138.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.27 136.57 57.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.273 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -71.82 -40.23 69.25 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.697 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.449 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 44.8 mm -79.26 -51.25 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.343 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -96.42 -124.89 0.13 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.676 -0.81 . . . . 0.0 108.85 171.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.8 mt -160.09 39.66 0.18 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.234 0.54 . . . . 0.0 110.124 175.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.403 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 20.4 m -88.64 121.12 30.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.904 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.706 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.09 133.23 34.03 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.83 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.759 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 18.4 m-85 -124.01 144.75 49.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -66.47 -52.64 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.21 0.528 . . . . 0.0 112.236 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 4' ' ' GLY . 81.9 p -101.95 151.6 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -55.04 -39.46 69.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.25 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.57 -41.28 76.65 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.493 -175.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.08 -43.06 96.57 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.852 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.37 -41.68 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.855 0.36 . . . . 0.0 110.581 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.88 83.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.086 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 36.6 ptt180 -67.23 -37.05 82.92 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.079 0.466 . . . . 0.0 110.532 178.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.593 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.7 t60 -59.89 -44.58 94.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.664 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -50.73 -36.77 38.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -169.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 15.0 ptmm? -54.06 -30.58 48.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -174.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 26' ' ' HIS . 30.5 m -58.0 -36.59 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.637 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.486 ' N ' HG23 ' A' ' 29' ' ' VAL . 94.3 m-70 -77.16 47.56 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.23 0.538 . . . . 0.0 111.727 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.466 HG21 ' O ' ' A' ' 28' ' ' LYS . 8.9 t 179.06 -39.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.767 175.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -71.23 -59.89 2.53 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.7 m -161.89 129.04 3.89 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.78 54.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.357 0.599 . . . . 0.0 111.228 -173.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.978 178.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -76.25 52.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.518 0.327 . . . . 0.0 110.678 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m 71.81 139.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.39 -172.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.94 -129.25 0.03 OUTLIER Glycine 0 CA--C 1.521 0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 114.133 -172.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 81.7 tttt -162.0 168.36 22.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.65 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 20.4 tpp180 -75.19 -24.21 0.52 Allowed Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 44.5 Cg_endo -62.86 -1.36 2.67 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.404 2.069 . . . . 0.0 114.449 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.708 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.3 m-30 -77.8 52.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 122.435 0.294 . . . . 0.0 110.852 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.454 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.78 140.7 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.958 0.409 . . . . 0.0 110.04 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.02 135.39 57.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.398 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -68.22 -38.62 82.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.243 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -79.24 -51.83 16.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.409 -173.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.2 -121.87 0.16 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.861 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 mt -159.84 34.03 0.18 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.96 0.504 . . . . 0.0 110.422 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.469 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 28.8 m -83.51 124.92 31.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.943 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.29 132.9 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.868 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.708 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 21.8 m-85 -128.19 146.19 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p -67.65 -58.39 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.914 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.2 p -96.82 151.57 19.53 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.319 -0.238 . . . . 0.0 111.29 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.95 -36.23 67.57 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.22 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.66 82.93 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.215 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -64.59 -43.24 94.47 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.599 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.76 -40.11 93.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.331 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.11 77.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.891 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.548 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.4 ptt180 -67.23 -30.55 70.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.93 0.395 . . . . 0.0 110.044 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.638 ' O ' HG21 ' A' ' 29' ' ' VAL . 72.4 t60 -66.26 -48.15 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.57 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -48.65 -39.94 26.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.609 -168.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.548 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 14.5 ptmm? -55.92 -25.97 45.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.638 HG21 ' O ' ' A' ' 26' ' ' HIS . 23.6 m -57.49 -36.51 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 122.085 -0.384 . . . . 0.0 111.002 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' HD1' HD13 ' A' ' 34' ' ' LEU . 91.2 m-70 -77.74 34.3 0.18 Allowed 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 29' ' ' VAL . 10.3 p -162.28 -45.11 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 O-C-N 123.806 0.691 . . . . 0.0 109.741 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -74.65 -59.22 2.83 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 t -163.42 133.62 4.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.994 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD13 ' HD1' ' A' ' 30' ' ' HIS . 1.8 pt? -144.09 44.93 1.45 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.721 0.772 . . . . 0.0 109.678 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.524 177.496 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 CA-C-O 120.193 -0.226 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -57.15 128.37 36.64 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.807 0.303 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -174.35 136.35 0.47 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.672 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.77 -56.48 0.72 Allowed Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.974 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -71.79 148.88 45.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.8 0.3 . . . . 0.0 110.307 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.747 ' HG2' HG21 ' A' ' 18' ' ' THR . 96.0 mtt180 -98.78 33.19 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 -171.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.407 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 89.4 Cg_endo -81.84 4.57 6.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 CA-C-N 122.821 2.043 . . . . 0.0 110.435 172.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.64 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.4 m-30 -77.38 129.75 36.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.428 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 9' ' ' VAL . 6.2 p -145.57 138.6 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 -178.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.24 133.99 56.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.206 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -74.06 -32.56 63.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 41.2 mm -78.1 -50.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.978 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.3 p -104.52 -123.92 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.59 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 mt -160.02 39.48 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.294 0.568 . . . . 0.0 110.145 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -86.8 125.47 33.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.827 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.59 138.78 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.64 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 36.7 m-85 -134.33 147.82 50.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.642 0.258 . . . . 0.0 110.481 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.747 HG21 ' HG2' ' A' ' 6' ' ' ARG . 33.1 p -60.46 -44.25 96.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 0.0 111.6 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.6 p -119.4 146.62 45.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.29 -171.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -56.37 -33.72 65.96 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.346 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.11 84.68 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.035 -1.439 . . . . 0.0 111.17 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -63.74 -44.24 94.12 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.087 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.16 -39.7 79.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.83 75.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.789 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.593 ' HD2' ' N ' ' A' ' 26' ' ' HIS . 7.1 ppt_? -71.87 -32.5 67.52 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.556 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.593 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 69.6 t60 -58.41 -41.88 85.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 175.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.4 ptmt -53.31 -34.89 59.23 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 m -54.13 -36.41 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 93.4 m-70 -81.14 23.26 0.59 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.5 t -176.09 32.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.386 0.612 . . . . 0.0 110.336 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -170.92 132.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.079 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.4 m -78.41 131.61 37.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 HD11 ' N ' ' A' ' 34' ' ' LEU . 6.2 mp -77.99 -50.31 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.182 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.184 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -168.78 135.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -165.8 136.3 3.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.334 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.52 137.88 37.9 Favored Glycine 0 N--CA 1.45 -0.375 0 O-C-N 123.782 0.676 . . . . 0.0 114.032 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.491 ' HG2' ' HD2' ' A' ' 7' ' ' PRO . 81.2 tttt -163.98 150.7 11.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 28.7 tpt180 -74.17 -29.4 0.98 Allowed Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 -164.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 95.3 Cg_endo -71.42 24.83 0.23 Allowed 'Trans proline' 0 N--CA 1.483 0.902 0 C-N-CA 122.368 2.045 . . . . 0.0 114.056 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.694 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -91.5 49.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.767 0.318 . . . . 0.0 110.246 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.59 143.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.577 -174.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 t -59.81 138.9 57.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.852 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -68.13 -43.46 78.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.627 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 45.4 mm -79.61 -50.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.813 -169.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -99.15 -124.54 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.246 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 14' ' ' LEU . 47.5 mt -159.13 36.09 0.21 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 174.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -80.84 123.74 28.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.527 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -91.31 135.55 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.58 0.229 . . . . 0.0 110.739 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.694 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 8.4 m-85 -129.18 143.52 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.0 p -63.6 -58.83 5.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.827 0.346 . . . . 0.0 111.855 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -96.63 152.55 18.54 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 122.088 -0.383 . . . . 0.0 111.705 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.38 -38.25 63.19 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.392 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.74 -42.39 79.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.101 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -70.56 -43.95 68.44 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.424 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -63.1 -48.59 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.204 -174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.52 88.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 41.3 ptt180 -68.21 -31.48 71.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.819 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.0 t60 -56.39 -41.45 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.614 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 31' ' ' THR . 4.2 mm? -47.32 -32.08 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -53.64 -36.67 62.31 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.834 ' HB ' HD13 ' A' ' 34' ' ' LEU . 29.8 m -55.16 -40.87 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 122.039 -0.413 . . . . 0.0 111.515 -176.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' N ' HG21 ' A' ' 29' ' ' VAL . 91.4 m-70 -78.28 -54.26 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.16 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 27' ' ' LEU . 9.6 t -87.21 42.64 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.234 0.54 . . . . 0.0 111.941 -177.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -173.25 -98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 t -161.09 151.0 17.25 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.834 HD13 ' HB ' ' A' ' 29' ' ' VAL . 2.2 pt? -157.8 -43.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.491 ' H ' HD23 ' A' ' 34' ' ' LEU . 54.3 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.159 -0.924 . . . . 0.0 109.463 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 N-CA-C 112.381 -0.287 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -166.22 50.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.668 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 14.3 m -56.19 -52.56 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.38 48.66 47.6 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.69 175.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.859 ' HB2' ' HZ3' ' A' ' 5' ' ' LYS . 5.0 ttmp? -145.2 127.02 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.676 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 44.7 mmm-85 -78.27 -31.48 0.78 Allowed Pre-proline 0 N--CA 1.475 0.818 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -167.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 52.0 Cg_endo -63.24 17.33 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 123.006 2.471 . . . . 0.0 114.177 -176.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.706 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.3 m-30 -86.01 49.5 1.79 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.572 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.1 p -77.7 136.76 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -175.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.6 131.75 47.88 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.758 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -70.42 -32.9 70.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.43 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.474 HG23 ' CG ' ' A' ' 30' ' ' HIS . 43.3 mm -77.06 -48.52 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.68 -175.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -104.07 -121.97 0.2 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.368 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -160.71 37.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 122.97 0.508 . . . . 0.0 110.25 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -83.77 125.27 31.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -95.6 131.8 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.776 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.706 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 28.8 m-85 -121.93 149.39 43.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.754 0.311 . . . . 0.0 111.143 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -69.75 -34.69 74.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 3' ' ' SER . 80.9 p -133.92 151.52 51.52 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.811 -172.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -55.51 -34.79 64.94 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.438 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.44 77.32 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.168 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -65.28 -42.69 92.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 176.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.2 t -62.13 -41.33 98.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.878 0.37 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.92 78.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.163 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -67.72 -35.76 79.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.79 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -61.72 -47.93 83.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.191 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 tp -49.68 -39.07 35.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -165.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -55.36 -31.56 61.86 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.9 m -51.93 -33.57 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.042 0.449 . . . . 0.0 111.731 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.474 ' CG ' HG23 ' A' ' 12' ' ' ILE . 93.4 m-70 -79.1 -48.69 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -76.63 -51.67 11.12 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.02 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.95 122.45 36.46 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -79.18 134.52 36.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.957 0.408 . . . . 0.0 110.523 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.0 46.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.559 -178.841 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -72.54 50.61 0.24 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -76.94 52.16 0.84 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.149 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 19' ' ' THR . . . -53.5 137.31 38.82 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 113.433 -175.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.565 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 79.6 tttt -101.37 178.8 4.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.565 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 30.9 tpt180 -78.21 -34.86 1.11 Allowed Pre-proline 0 CA--C 1.555 1.148 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 93.8 Cg_endo -72.19 25.97 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 122.989 2.459 . . . . 0.0 114.481 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.8 m-30 -91.37 49.3 1.59 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.619 0.247 . . . . 0.0 110.745 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.85 140.77 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.97 134.58 56.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.637 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -66.97 -39.88 87.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.667 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mm -78.33 -48.36 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.19 -171.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 30.7 p -103.67 -122.9 0.2 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.609 172.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 55.3 mt -160.38 36.35 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 123.04 0.536 . . . . 0.0 109.772 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.455 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 33.0 m -84.21 124.76 31.54 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.824 175.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 138.04 31.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.644 0.259 . . . . 0.0 110.971 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.693 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 28.2 m-85 -136.48 150.51 48.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.641 0.257 . . . . 0.0 110.445 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -71.81 -63.51 1.12 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 120.94 0.4 . . . . 0.0 111.559 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 76.3 p -92.05 151.28 20.52 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.197 -0.314 . . . . 0.0 111.407 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -56.3 -35.81 67.96 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.913 172.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.38 79.35 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.195 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -64.45 -43.25 94.86 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.853 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.51 -41.07 98.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.427 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.64 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.741 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.2 ptt180 -68.66 -35.01 76.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.418 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.504 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.3 t60 -57.45 -43.59 84.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.445 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.5 tp -48.27 -39.5 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.5 pttp -57.96 -23.42 53.7 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 26' ' ' HIS . 20.8 m -57.47 -38.1 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.128 0.422 . . . . 0.0 110.286 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.852 ' HA ' HD13 ' A' ' 34' ' ' LEU . 93.3 m-70 -79.65 25.17 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 t -173.75 35.01 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.284 1.04 . . . . 0.0 109.555 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -168.13 -50.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.901 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 m -90.24 50.49 1.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.541 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.852 HD13 ' HA ' ' A' ' 30' ' ' HIS . 86.5 mt -152.64 141.08 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.934 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.026 -0.988 . . . . 0.0 108.66 -178.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -177.56 -126.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.861 ' HA ' HG22 ' A' ' 19' ' ' THR . 49.3 m 68.11 127.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.898 0.879 . . . . 0.0 111.787 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.03 -132.11 2.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -58.54 149.9 24.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.293 -0.453 . . . . 0.0 110.777 177.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.573 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 51.7 ttp85 -105.8 59.67 0.15 Allowed Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.437 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 2.7 Cg_endo -82.44 -2.64 11.15 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 121.806 1.671 . . . . 0.0 110.091 173.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 13.1 m-30 -77.38 134.87 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.33 -169.106 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 6.0 p -145.37 141.24 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.98 134.82 57.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.276 0.56 . . . . 0.0 110.693 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -70.94 -37.67 72.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.263 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.8 mm -79.71 -52.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.252 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -99.23 -123.61 0.15 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.889 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -157.64 35.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.049 0.452 . . . . 0.0 110.199 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 m -82.34 121.59 26.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.05 138.61 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.528 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 38.7 m-85 -131.75 141.64 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 110.961 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' HA ' ' HB2' ' A' ' 6' ' ' ARG . 39.9 p -61.03 -36.72 80.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.876 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.861 HG22 ' HA ' ' A' ' 3' ' ' SER . 59.5 p -133.91 150.41 51.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.524 -173.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -56.51 -33.68 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.597 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 75.9 m-20 -70.18 -42.17 72.78 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 111.084 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.58 -37.87 89.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.665 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -46.46 81.4 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.624 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.3 ptt180 -68.79 -34.12 75.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.986 0.422 . . . . 0.0 110.547 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.641 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.4 t60 -62.79 -46.06 89.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.139 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.35 -39.17 45.59 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -166.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.3 pttp -52.94 -28.95 25.97 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -176.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.776 ' HB ' ' HA ' ' A' ' 34' ' ' LEU . 23.2 m -57.31 -36.3 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.464 ' N ' HG21 ' A' ' 29' ' ' VAL . 93.6 m-70 -79.7 42.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -175.3 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -83.28 -145.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.0 p -79.83 139.84 37.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.776 ' HA ' ' HB ' ' A' ' 29' ' ' VAL . 5.9 mp -77.92 47.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -174.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.634 177.234 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.396 -0.282 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -76.22 -134.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.483 0.313 . . . . 0.0 110.22 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.587 ' HA ' HG22 ' A' ' 19' ' ' THR . 43.9 m -71.47 124.32 24.36 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.17 176.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.91 -139.65 5.28 Favored Glycine 0 CA--C 1.516 0.123 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.263 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 18' ' ' THR . 6.4 ptpp? -78.09 -173.43 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.698 ' HG2' HG23 ' A' ' 18' ' ' THR . 85.5 mtm180 -115.08 63.58 1.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -83.13 -27.98 1.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.109 2.54 . . . . 0.0 112.085 176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.651 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -75.62 130.58 38.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.631 -170.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 9' ' ' VAL . 8.4 p -128.94 139.09 52.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.9 t -58.03 136.51 57.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.21 0.528 . . . . 0.0 110.95 -176.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -70.98 -37.32 72.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.794 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.18 -51.78 15.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.579 -176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.33 -124.63 0.16 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.797 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 mt -158.1 36.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.163 0.506 . . . . 0.0 110.391 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 m -82.77 122.51 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.995 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 8' ' ' PHE . . . -85.15 138.34 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 0.0 110.977 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.651 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 27.9 m-85 -136.2 151.57 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.698 HG23 ' HG2' ' A' ' 6' ' ' ARG . 34.4 p -63.72 -41.24 98.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.289 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 3' ' ' SER . 76.6 p -135.53 156.29 49.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.464 -168.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.22 -29.21 65.52 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.078 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -49.23 75.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.098 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -68.52 -41.03 80.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.962 176.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.13 -39.06 88.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.491 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.86 80.01 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.936 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 39.3 ptt180 -64.86 -36.88 85.77 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.657 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -62.85 -46.83 86.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.834 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -49.17 -39.49 29.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -168.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.8 pttp -60.13 -22.98 63.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.582 ' O ' HG21 ' A' ' 33' ' ' THR . 33.7 m -57.57 -36.12 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 118.655 0.662 . . . . 0.0 110.941 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.796 ' HA ' HD11 ' A' ' 34' ' ' LEU . 93.6 m-70 -75.45 -45.64 37.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.297 0.57 . . . . 0.0 109.614 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -85.92 40.34 0.85 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.993 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -171.17 -69.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.582 HG21 ' O ' ' A' ' 29' ' ' VAL . 9.8 t -84.07 39.2 0.69 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.347 0.594 . . . . 0.0 111.483 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.796 HD11 ' HA ' ' A' ' 30' ' ' HIS . 76.7 mt -141.27 43.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.4 172.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.682 178.285 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 p 52.02 41.31 29.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.819 0.848 . . . . 0.0 112.806 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.618 ' HA ' HG22 ' A' ' 19' ' ' THR . 59.5 p -77.62 132.88 38.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 173.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.04 -129.39 1.91 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 118.859 -1.639 . . . . 0.0 114.938 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -55.49 156.14 4.83 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.178 0.991 . . . . 0.0 112.851 -174.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.561 ' CZ ' ' HB3' ' A' ' 16' ' ' ALA . 64.4 ttt-85 -102.76 42.89 0.04 OUTLIER Pre-proline 0 CA--C 1.566 1.558 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 91.1 Cg_endo -85.55 3.33 7.24 Favored 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 121.528 1.485 . . . . 0.0 111.103 173.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.734 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.7 m-30 -77.68 138.23 38.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.127 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.439 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 5.2 p -149.68 143.26 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.46 135.74 57.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.74 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.44 ' NH1' HD12 ' A' ' 12' ' ' ILE . 8.4 ptm180 -76.33 -30.93 57.86 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.233 178.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 HG23 ' CG ' ' A' ' 30' ' ' HIS . 46.7 mm -79.49 -54.31 11.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.509 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.6 -124.85 0.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.306 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 mt -157.52 36.92 0.27 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.212 0.529 . . . . 0.0 109.82 175.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 m -80.32 123.26 27.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.783 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 6' ' ' ARG . . . -88.95 140.49 29.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.734 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 42.4 m-85 -136.82 151.09 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 p -66.8 -38.23 86.1 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.223 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 3' ' ' SER . 63.0 p -133.83 151.2 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.894 -0.504 . . . . 0.0 111.567 -169.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -54.24 -36.06 63.14 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.782 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.8 68.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.56 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.42 -42.88 74.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.962 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.92 -41.92 99.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.688 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.1 ptt180 -66.91 -36.81 83.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.463 ' O ' HG21 ' A' ' 29' ' ' VAL . 68.6 t60 -57.15 -44.83 83.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.779 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -51.47 -36.42 44.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.055 -167.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.1 pttm -54.57 -31.52 56.89 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -175.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 34' ' ' LEU . 21.4 m -54.16 -35.78 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 120.954 0.407 . . . . 0.0 111.625 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.58 ' N ' HG22 ' A' ' 29' ' ' VAL . 95.6 m-70 -78.92 -48.65 14.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.683 -173.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -144.22 141.61 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.982 0.42 . . . . 0.0 110.167 -172.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 m -75.66 131.55 39.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.756 HD11 HG12 ' A' ' 29' ' ' VAL . 83.1 mt -77.75 141.32 39.36 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.084 -173.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.312 -1.051 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.631 178.077 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.4 m -65.77 135.14 54.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.644 0.259 . . . . 0.0 110.885 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.586 ' HA ' ' HA ' ' A' ' 19' ' ' THR . 72.5 m 62.57 53.25 2.68 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.463 0.649 . . . . 0.0 111.866 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.89 136.58 2.54 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.11 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? 69.07 145.97 0.05 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -175.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.644 ' HB2' HG22 ' A' ' 18' ' ' THR . 75.2 ttt180 -104.6 51.79 0.1 OUTLIER Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -172.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 9.1 Cg_endo -84.91 -13.33 6.76 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.282 1.988 . . . . 0.0 110.6 174.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 3.2 m-30 -76.21 134.68 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.459 -173.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.6 p -140.05 141.01 34.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -58.61 134.99 57.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.03 -40.56 82.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.332 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.3 -54.33 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.456 -172.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -94.65 -123.92 0.1 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.124 -0.631 . . . . 0.0 109.49 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 mt -159.01 35.32 0.21 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.085 0.469 . . . . 0.0 110.197 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.4 m -82.32 122.69 28.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.541 174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.15 139.86 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.468 0.175 . . . . 0.0 110.688 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.693 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 24.7 m-85 -137.7 140.57 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.644 HG22 ' HB2' ' A' ' 6' ' ' ARG . 19.0 p -62.44 -43.84 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.631 . . . . 0.0 111.965 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.586 ' HA ' ' HA ' ' A' ' 3' ' ' SER . 31.3 p -109.06 146.29 34.23 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 121.948 -0.47 . . . . 0.0 110.839 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.3 -33.67 67.92 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.038 0.923 . . . . 0.0 108.755 168.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.75 83.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.397 -1.729 . . . . 0.0 111.632 -176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -66.4 -40.87 89.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.434 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.9 t -61.0 -39.41 89.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.16 78.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.812 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.1 ptt180 -69.74 -30.96 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.042 0.449 . . . . 0.0 110.614 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -59.86 -42.61 94.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.501 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -49.05 -33.65 11.83 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.3 pttm -51.16 -31.22 19.17 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -175.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.0 m -61.17 -39.04 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.9 44.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.442 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 28' ' ' LYS . 7.6 t -173.92 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.268 177.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.44 -57.53 3.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.141 0.496 . . . . 0.0 110.882 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -163.17 136.4 5.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.192 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -135.1 145.06 47.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.136 0.493 . . . . 0.0 110.708 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.14 -179.178 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -70.77 -47.69 58.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.627 0.214 . . . . 0.0 111.321 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.43 ' HA ' HG21 ' A' ' 19' ' ' THR . 36.8 t 65.58 129.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.804 0.69 . . . . 0.0 111.113 -179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 146.29 7.07 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.672 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.742 ' O ' ' HA ' ' A' ' 18' ' ' THR . 87.0 tttt 66.98 172.36 0.26 Allowed 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 122.61 0.364 . . . . 0.0 110.147 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 mtt85 -142.17 60.35 10.49 Favored Pre-proline 0 N--CA 1.47 0.572 0 O-C-N 121.803 -0.561 . . . . 0.0 111.514 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -78.04 -42.31 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.867 2.378 . . . . 0.0 112.499 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.534 ' CE2' ' HA ' ' A' ' 19' ' ' THR . 13.6 m-85 -77.79 126.01 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.992 -168.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.491 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.7 p -118.56 140.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.95 135.74 57.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.297 0.57 . . . . 0.0 111.191 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -72.72 -36.17 67.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.466 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 HG21 ' CG ' ' A' ' 30' ' ' HIS . 47.1 mm -79.64 -52.7 14.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.267 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.3 p -96.82 -125.27 0.13 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 171.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' HA ' HD22 ' A' ' 14' ' ' LEU . 54.7 mt -160.27 36.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 110.033 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.4 m -82.66 123.3 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.81 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.491 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.34 135.27 33.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 0.0 110.515 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 17.4 m-85 -124.7 148.71 47.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.89 0.376 . . . . 0.0 110.555 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.742 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 64.0 p -58.36 -36.31 73.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.989 -177.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.534 ' HA ' ' CE2' ' A' ' 8' ' ' PHE . 70.0 p -143.13 154.88 44.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -172.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.68 -34.19 57.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.244 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.94 73.94 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.852 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -70.71 -42.73 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.316 175.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.995 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.9 75.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 38.8 ptt180 -66.79 -36.44 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 110.743 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -62.91 -47.52 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.06 -38.14 36.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.404 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 66.0 pttt -59.11 -30.26 67.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' A' ' 31' ' ' THR . 17.3 m -51.5 -31.91 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.747 0.308 . . . . 0.0 111.44 -175.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' CG ' HG21 ' A' ' 12' ' ' ILE . 97.2 m-70 -78.6 37.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.717 -178.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.409 ' H ' ' C ' ' A' ' 29' ' ' VAL . 8.1 t 177.43 -45.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.228 0.611 . . . . 0.0 109.383 175.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -86.18 123.29 31.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.0 p -79.37 136.92 37.12 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.903 0.382 . . . . 0.0 111.736 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -79.38 46.59 0.75 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.254 1.298 0 CA-C-O 117.693 -1.146 . . . . 0.0 108.458 -177.214 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.919 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -170.0 -135.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 m -62.72 129.87 42.44 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' H ' HG22 ' A' ' 19' ' ' THR . . . -74.37 -132.19 0.25 Allowed Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.499 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 60.2 tttp -165.9 174.48 9.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.553 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 22.2 tpp180 -76.8 -31.94 0.96 Allowed Pre-proline 0 CA--C 1.55 0.976 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -170.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 96.6 Cg_endo -71.52 27.5 0.23 Allowed 'Trans proline' 0 N--CA 1.483 0.894 0 C-N-CA 122.361 2.041 . . . . 0.0 113.272 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.541 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.3 m-30 -94.97 44.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.668 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.54 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p -78.32 143.86 12.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.44 -174.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -63.72 136.91 57.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.057 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -70.49 -35.96 73.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.4 mm -81.6 -54.98 8.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.745 -174.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.07 -125.13 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -159.57 34.18 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.342 0.591 . . . . 0.0 109.906 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -80.07 120.28 24.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.55 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.92 127.82 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.541 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 5.6 m-85 -112.24 148.63 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.9 p -62.03 -46.39 89.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.744 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.415 HG22 ' H ' ' A' ' 4' ' ' GLY . 80.5 p -117.53 148.72 41.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.205 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.26 81.57 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.496 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 80.8 m-20 -67.97 -42.54 80.7 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.068 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.4 t -61.99 -40.18 94.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.92 0.391 . . . . 0.0 110.572 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.04 87.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.068 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 41.0 ptt180 -67.3 -33.88 76.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.998 0.428 . . . . 0.0 110.232 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -58.52 -45.25 89.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.159 178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.7 tp -48.64 -40.24 27.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.52 -165.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -56.34 -26.79 53.78 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 30' ' ' HIS . 28.1 m -54.83 -37.26 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 118.047 0.385 . . . . 0.0 111.369 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' N ' HG22 ' A' ' 29' ' ' VAL . 95.1 m-70 -78.44 40.83 0.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.835 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 t -178.1 -40.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.161 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -72.43 -100.12 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 34' ' ' LEU . 5.8 mp -79.27 -41.43 28.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.19 -0.909 . . . . 0.0 109.831 -179.466 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -157.8 45.63 0.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.711 0.767 . . . . 0.0 109.862 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -161.9 134.08 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.898 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.93 144.15 6.4 Favored Glycine 0 CA--C 1.508 -0.352 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.72 -173.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.6 tptt 73.11 134.74 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -172.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.768 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 38.5 ttm180 -109.76 68.74 0.46 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-O 120.724 0.297 . . . . 0.0 111.715 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.68 -42.77 0.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.439 2.092 . . . . 0.0 112.438 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' CE2' ' HA ' ' A' ' 19' ' ' THR . 30.4 m-85 -79.5 130.31 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.399 -167.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p -114.18 142.64 26.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 169.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.96 137.11 51.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.486 0.66 . . . . 0.0 111.159 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 HH21 HD21 ' A' ' 27' ' ' LEU . 63.4 mtm180 -69.1 -37.74 78.57 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.341 -178.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.8 mm -85.33 -55.6 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.03 -174.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.31 -123.92 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.641 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.7 mt -158.22 33.87 0.24 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.401 . . . . 0.0 109.958 175.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 m -82.83 124.76 30.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 174.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.38 138.96 30.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.608 0.242 . . . . 0.0 111.292 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.79 143.83 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.768 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 40.5 p -56.95 -35.66 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.597 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.479 ' HA ' ' CE2' ' A' ' 8' ' ' PHE . 68.8 p -141.19 153.61 45.4 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.013 -0.429 . . . . 0.0 111.127 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -57.28 -29.79 64.16 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.293 170.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.34 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.521 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 78.4 m-20 -74.73 -42.71 57.79 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.8 t -61.16 -39.85 91.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.7 -175.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.65 93.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.753 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.1 ptt180 -66.34 -35.21 79.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.8 t60 -61.2 -45.19 95.62 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.38 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.459 HD21 HH21 ' A' ' 11' ' ' ARG . 59.9 tp -48.8 -38.22 21.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.87 . . . . 0.0 113.114 -169.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 18.7 ptpt -53.72 -32.41 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG13 HD12 ' A' ' 34' ' ' LEU . 21.9 m -53.75 -35.62 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.941 0.4 . . . . 0.0 111.602 -177.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 96.4 m-70 -78.56 -49.89 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.067 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.6 p -74.01 -31.64 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.893 -173.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.6 142.26 33.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.404 0.621 . . . . 0.0 111.468 -171.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.422 HG23 ' OXT' ' A' ' 35' ' ' SER . 5.7 t -77.13 129.28 35.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.545 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD12 HG13 ' A' ' 29' ' ' VAL . 74.0 mt -87.22 38.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.999 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.422 ' OXT' HG23 ' A' ' 33' ' ' THR . 33.0 p . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.888 -178.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -62.97 -48.02 80.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.592 0.234 . . . . 0.0 110.914 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -162.07 134.55 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.0 -134.07 0.48 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.631 -0.713 . . . . 0.0 113.217 -176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -173.8 -171.05 0.62 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.059 0.544 . . . . 0.0 110.68 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.604 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 12.3 tpt180 -76.94 -36.13 1.53 Allowed Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -169.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.604 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 71.3 Cg_endo -68.55 22.82 0.14 Allowed 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.913 2.409 . . . . 0.0 114.461 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.4 m-30 -91.3 50.96 1.83 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.621 0.248 . . . . 0.0 111.438 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.2 p -78.13 139.64 18.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 -178.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.45 133.83 56.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.002 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -69.55 -35.41 75.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.12 -55.18 10.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.557 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.39 -124.14 0.11 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.0 mt -160.44 40.61 0.17 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.947 0.499 . . . . 0.0 109.839 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.414 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 30.3 m -87.43 125.1 34.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.041 176.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.74 138.99 30.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.504 -0.123 . . . . 0.0 110.738 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.762 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 26.2 m-85 -135.69 148.62 48.97 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 p -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.5 p -126.23 153.21 45.03 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.682 -0.636 . . . . 0.0 111.529 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -54.79 -38.0 66.75 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.205 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.56 -43.89 76.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.332 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 82.3 m-20 -68.45 -41.93 79.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.713 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.18 -42.06 99.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.75 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.7 ptt180 -65.59 -35.95 82.32 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 121.107 0.479 . . . . 0.0 109.884 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -58.68 -44.14 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.727 177.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.36 -32.46 17.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -170.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.571 ' HA ' HD11 ' A' ' 34' ' ' LEU . 63.1 pttt -52.61 -36.45 56.35 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.9 m -55.63 -39.68 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.44 -38.09 56.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.941 0.401 . . . . 0.0 110.422 -176.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 m -97.58 29.41 3.32 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.157 0.504 . . . . 0.0 109.791 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 65.01 -51.24 0.34 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.951 0.901 . . . . 0.0 113.086 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -161.36 140.28 9.94 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 28' ' ' LYS . 98.7 mt -147.19 -41.75 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.539 -176.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.327 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -70.04 135.02 48.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.601 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 75.9 p -159.67 -143.09 0.1 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -178.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.441 ' HA2' ' HB ' ' A' ' 18' ' ' THR . . . 58.75 46.54 93.28 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.015 -176.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.612 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 61.2 tttm -157.13 141.0 16.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -168.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.51 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 25.9 mmm180 -76.0 -14.57 0.23 Allowed Pre-proline 0 CA--C 1.555 1.165 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -164.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.612 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 56.1 Cg_endo -66.67 -2.87 8.26 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 122.444 1.908 . . . . 0.0 113.539 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.801 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -77.18 55.99 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 111.021 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.736 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.2 p -76.88 139.74 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.96 131.45 47.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.49 0.662 . . . . 0.0 110.657 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' NH1' HD12 ' A' ' 12' ' ' ILE . 8.0 ptm180 -68.17 -30.16 69.2 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.048 178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 HD12 ' NH1' ' A' ' 11' ' ' ARG . 41.4 mm -84.21 -54.36 9.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.89 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.78 -124.78 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.77 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 14' ' ' LEU . 73.6 mt -155.05 37.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 0.0 110.55 177.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.5 m -87.35 121.38 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.736 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.03 135.4 33.57 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.948 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.801 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 18.4 m-85 -127.46 155.71 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.441 ' HB ' ' HA2' ' A' ' 4' ' ' GLY . 36.4 p -73.19 -44.79 59.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.199 0.523 . . . . 0.0 111.602 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.601 ' HA ' ' HB2' ' A' ' 3' ' ' SER . 69.6 p -116.9 147.67 42.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.627 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -56.57 -35.23 67.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.97 173.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.92 -41.62 74.84 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.264 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -65.32 -43.66 90.3 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.78 -38.81 86.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.577 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.89 88.39 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.027 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -69.15 -35.57 76.48 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.148 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' O ' HG21 ' A' ' 29' ' ' VAL . 67.7 t60 -57.64 -42.94 84.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.524 175.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.0 tp -49.74 -37.81 31.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -53.71 -30.68 44.99 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 26' ' ' HIS . 22.9 m -56.62 -34.74 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.588 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' N ' HG22 ' A' ' 29' ' ' VAL . 93.7 m-70 -77.98 42.21 0.38 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -177.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 t 179.55 -50.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.838 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -91.86 32.23 1.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.722 0.772 . . . . 0.0 110.118 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.445 ' O ' HG21 ' A' ' 33' ' ' THR . 30.0 m -161.13 36.65 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -159.62 47.93 0.29 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.655 -1.611 . . . . 0.0 108.292 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 -172.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -67.11 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 111.463 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -72.47 -24.08 61.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.423 0.63 . . . . 0.0 110.706 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 18' ' ' THR . . . 83.11 127.67 1.22 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 50.2 tttm -170.34 145.29 2.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 -177.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.565 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 31.9 mmm-85 -74.73 -24.73 0.56 Allowed Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 -167.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 62.0 Cg_endo -67.5 7.22 0.55 Allowed 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.895 1.73 . . . . 0.0 113.75 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.754 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.8 m-30 -79.41 53.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.02 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.792 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.1 p -77.4 141.81 15.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -57.26 132.46 53.1 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.62 0.724 . . . . 0.0 111.182 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -67.91 -37.48 81.76 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.945 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -81.73 -51.85 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.504 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.88 -124.11 0.16 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.44 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -157.39 37.94 0.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.781 0.324 . . . . 0.0 110.933 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.444 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 18.1 m -90.08 121.22 31.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.792 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.48 129.31 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.22 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.754 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 5.6 m-85 -120.2 151.51 39.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.421 ' O ' ' HA2' ' A' ' 4' ' ' GLY . 48.4 p -67.28 -45.51 76.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.918 0.39 . . . . 0.0 111.813 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -109.89 150.09 28.94 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.889 -0.507 . . . . 0.0 111.45 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.34 -35.88 65.68 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.818 0.818 . . . . 0.0 108.989 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.4 93.03 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.995 -1.457 . . . . 0.0 111.449 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 82.1 m-20 -65.37 -41.0 94.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.876 176.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.8 t -60.2 -40.12 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.31 85.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.061 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.2 ptt180 -67.33 -37.23 82.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.222 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -59.98 -43.3 95.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.726 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.42 -33.1 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.951 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.2 ptmt -53.43 -29.04 33.27 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.481 ' O ' HD21 ' A' ' 34' ' ' LEU . 21.7 m -59.08 -39.85 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.356 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -79.79 31.18 0.25 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.331 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.419 ' H ' ' C ' ' A' ' 29' ' ' VAL . 9.2 t -171.37 30.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 175.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 33' ' ' THR . 32.1 t70 -172.1 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 113.722 -1.581 . . . . 0.0 108.009 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.448 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 39.0 m -79.37 129.0 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.445 0.164 . . . . 0.0 110.649 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 HD21 ' O ' ' A' ' 29' ' ' VAL . 91.6 mt -78.17 -41.18 35.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.97 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.904 -177.069 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.3 t -56.42 137.55 52.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.657 0.741 . . . . 0.0 111.552 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HG3' HG12 ' A' ' 12' ' ' ILE . 17.0 ptm180 -65.77 -36.69 84.27 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.286 -1.324 . . . . 0.0 111.24 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mm -88.81 -55.81 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.992 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -95.16 -128.52 0.14 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.876 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -153.66 36.17 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.232 0.539 . . . . 0.0 109.926 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 m -83.35 122.35 28.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.338 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.39 135.67 33.54 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.556 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -125.0 149.93 47.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.575 0.226 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -45.94 84.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.962 0.411 . . . . 0.0 111.689 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.322 -0.629 0 CA-C-O 120.838 0.352 . . . . 0.0 111.236 -176.577 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 29' ' ' VAL . 60.6 t60 . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -48.44 -37.69 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.944 -170.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.27 -32.05 46.71 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 26' ' ' HIS . 18.6 m -56.15 -35.28 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 111.429 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 94.4 m-70 . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.3 p . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.13 55.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.505 0.669 . . . . 0.0 110.759 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -68.03 -35.96 79.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.135 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.78 -52.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.235 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -101.7 -123.38 0.18 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.908 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -157.26 36.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.592 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -85.99 119.42 26.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -92.62 134.78 34.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.087 -0.383 . . . . 0.0 110.74 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -128.24 150.56 49.98 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.4 p -65.66 -45.75 81.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.844 0.354 . . . . 0.0 111.919 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 C--N 1.317 -0.821 0 O-C-N 122.041 -0.412 . . . . 0.0 111.317 -176.442 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 29' ' ' VAL . 66.4 t60 . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 120.699 0.285 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.43 -35.97 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -170.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -52.39 -32.93 41.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -176.326 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 26' ' ' HIS . 26.5 m -56.0 -37.96 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.665 0.269 . . . . 0.0 111.222 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 C--O 1.235 0.301 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.671 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.9 p . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.82 133.5 55.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.354 0.597 . . . . 0.0 111.293 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.499 -179.429 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.7 mm -79.73 -52.02 15.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.441 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 p -96.24 -124.38 0.12 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 mt -159.96 37.46 0.18 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.493 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.6 m -82.29 123.0 28.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.045 176.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -86.42 130.87 34.35 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.208 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.493 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 17.6 m-85 -120.45 143.8 48.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.014 0.435 . . . . 0.0 110.979 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 p -59.34 -36.14 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.6 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -175.241 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.625 ' O ' HG22 ' A' ' 29' ' ' VAL . 75.0 t60 . . . . . 0 C--O 1.224 -0.271 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -48.9 -37.63 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -167.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -53.82 -31.57 49.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 26' ' ' HIS . 26.7 m -54.71 -37.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.427 -177.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.2 m-70 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p . . . . . 0 N--CA 1.448 -0.538 0 CA-C-O 121.193 0.52 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.35 133.53 54.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.864 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -68.13 -36.43 79.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.493 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -78.31 -49.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.9 -172.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -102.82 -122.53 0.19 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt -159.54 34.92 0.19 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.932 0.493 . . . . 0.0 109.934 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.406 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 22.7 m -82.88 124.01 29.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.681 174.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.65 133.74 36.67 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.554 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 13.0 m-85 -124.02 151.97 43.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.7 p -65.76 -38.18 88.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.538 -171.569 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 29' ' ' VAL . 65.0 t60 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -48.8 -33.18 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.249 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.56 -32.13 39.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.1 m -58.58 -36.78 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.446 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 122.224 -0.298 . . . . 0.0 111.691 -179.197 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.718 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.27 136.57 57.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.273 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -71.82 -40.23 69.25 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.697 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 44.8 mm -79.26 -51.25 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.343 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.4 p -96.42 -124.89 0.13 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.676 -0.81 . . . . 0.0 108.85 171.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 56.8 mt -160.09 39.66 0.18 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.234 0.54 . . . . 0.0 110.124 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.431 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 20.4 m -88.64 121.12 30.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.904 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.718 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.09 133.23 34.03 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.83 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 18.4 m-85 -124.01 144.75 49.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -66.47 -52.64 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.21 0.528 . . . . 0.0 112.236 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.948 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.594 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.7 t60 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -50.73 -36.77 38.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -169.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -54.06 -30.58 48.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 26' ' ' HIS . 30.5 m -58.0 -36.59 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.637 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 94.3 m-70 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.23 0.538 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.958 0.409 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.02 135.39 57.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.398 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -68.22 -38.62 82.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.243 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -79.24 -51.83 16.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.409 -173.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.2 -121.87 0.16 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.861 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 mt -159.84 34.03 0.18 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.96 0.504 . . . . 0.0 110.422 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.495 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 28.8 m -83.51 124.92 31.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.943 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.29 132.9 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.868 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.495 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 21.8 m-85 -128.19 146.19 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p -67.65 -58.39 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.914 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.32 -0.703 0 O-C-N 122.319 -0.238 . . . . 0.0 111.29 -179.758 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.4 t60 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -48.65 -39.94 26.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.609 -168.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -55.92 -25.97 45.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 26' ' ' HIS . 23.6 m -57.49 -36.51 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 122.085 -0.384 . . . . 0.0 111.002 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.779 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.442 -0.853 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.24 133.99 56.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.206 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -74.06 -32.56 63.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.438 HG21 ' CG ' ' A' ' 30' ' ' HIS . 41.2 mm -78.1 -50.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.978 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.3 p -104.52 -123.92 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.59 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 mt -160.02 39.48 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.294 0.568 . . . . 0.0 110.145 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -86.8 125.47 33.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.827 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.59 138.78 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.33 147.82 50.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.642 0.258 . . . . 0.0 110.481 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.1 p -60.46 -44.25 96.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 0.0 111.6 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.29 -171.014 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 29' ' ' VAL . 69.6 t60 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -53.31 -34.89 59.23 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 26' ' ' HIS . 24.3 m -54.13 -36.41 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CG ' HG21 ' A' ' 12' ' ' ILE . 93.4 m-70 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 t -59.81 138.9 57.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.852 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -68.13 -43.46 78.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.627 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 45.4 mm -79.61 -50.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.813 -169.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -99.15 -124.54 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.246 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.5 mt -159.13 36.09 0.21 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -80.84 123.74 28.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.527 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -91.31 135.55 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.58 0.229 . . . . 0.0 110.739 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -129.18 143.52 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.0 p -63.6 -58.83 5.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.827 0.346 . . . . 0.0 111.855 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p . . . . . 0 C--N 1.318 -0.796 0 O-C-N 122.088 -0.383 . . . . 0.0 111.705 -177.673 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' O ' HG22 ' A' ' 29' ' ' VAL . 63.0 t60 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.32 -32.08 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.64 -36.67 62.31 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' HIS . 29.8 m -55.16 -40.87 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 122.039 -0.413 . . . . 0.0 111.515 -176.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.4 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.1 p . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.6 131.75 47.88 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.758 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -70.42 -32.9 70.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.43 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -77.06 -48.52 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.68 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -104.07 -121.97 0.2 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.368 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -160.71 37.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 122.97 0.508 . . . . 0.0 110.25 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -83.77 125.27 31.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -95.6 131.8 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.776 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -121.93 149.39 43.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.754 0.311 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -69.75 -34.69 74.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.811 -172.196 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 29' ' ' VAL . 77.9 t60 . . . . . 0 C--O 1.226 -0.154 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 tp -49.68 -39.07 35.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -165.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -55.36 -31.56 61.86 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 26' ' ' HIS . 28.9 m -51.93 -33.57 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.042 0.449 . . . . 0.0 111.731 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -178.483 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.97 134.58 56.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.637 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -66.97 -39.88 87.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.667 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mm -78.33 -48.36 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.19 -171.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 30.7 p -103.67 -122.9 0.2 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.609 172.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 55.3 mt -160.38 36.35 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 123.04 0.536 . . . . 0.0 109.772 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.479 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 33.0 m -84.21 124.76 31.54 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.824 175.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 138.04 31.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.644 0.259 . . . . 0.0 110.971 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.479 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 28.2 m-85 -136.48 150.51 48.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.641 0.257 . . . . 0.0 110.445 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -71.81 -63.51 1.12 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 120.94 0.4 . . . . 0.0 111.559 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.32 -0.694 0 O-C-N 122.197 -0.314 . . . . 0.0 111.407 -179.428 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.607 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.3 t60 . . . . . 0 C--O 1.226 -0.166 0 N-CA-C 111.445 0.165 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.5 tp -48.27 -39.5 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.96 -23.42 53.7 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 26' ' ' HIS . 20.8 m -57.47 -38.1 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.128 0.422 . . . . 0.0 110.286 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 179.319 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.522 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 6.0 p . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.98 134.82 57.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.276 0.56 . . . . 0.0 110.693 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -70.94 -37.67 72.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.263 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 mm -79.71 -52.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.252 -176.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -99.23 -123.61 0.15 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.889 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -157.64 35.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.049 0.452 . . . . 0.0 110.199 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 m -82.34 121.59 26.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 175.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.05 138.61 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.75 141.64 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 110.961 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -61.03 -36.72 80.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.876 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.448 -0.571 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.524 -173.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.596 ' O ' HG22 ' A' ' 29' ' ' VAL . 76.4 t60 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.35 -39.17 45.59 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -166.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -52.94 -28.95 25.97 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 26' ' ' HIS . 23.2 m -57.31 -36.3 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 93.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.4 p . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.9 t -58.03 136.51 57.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.21 0.528 . . . . 0.0 110.95 -176.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -70.98 -37.32 72.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.794 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.18 -51.78 15.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.579 -176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.33 -124.63 0.16 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.797 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 mt -158.1 36.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.163 0.506 . . . . 0.0 110.391 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 m -82.77 122.51 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.995 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -85.15 138.34 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 0.0 110.977 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -136.2 151.57 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 p -63.72 -41.24 98.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.289 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.464 -168.236 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.687 ' O ' HG22 ' A' ' 29' ' ' VAL . 73.8 t60 . . . . . 0 C--O 1.221 -0.399 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -49.17 -39.49 29.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -168.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -60.13 -22.98 63.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.7 m -57.57 -36.12 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 118.655 0.662 . . . . 0.0 110.941 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--N 1.319 -0.737 0 CA-C-O 121.297 0.57 . . . . 0.0 109.614 179.819 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 5.2 p . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.46 135.74 57.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.74 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -76.33 -30.93 57.86 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.233 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 mm -79.49 -54.31 11.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.509 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.6 -124.85 0.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.306 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 mt -157.52 36.92 0.27 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.212 0.529 . . . . 0.0 109.82 175.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 m -80.32 123.26 27.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.783 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.95 140.49 29.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.82 151.09 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 p -66.8 -38.23 86.1 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.223 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.323 -0.575 0 O-C-N 121.894 -0.504 . . . . 0.0 111.567 -169.562 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 68.6 t60 . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -51.47 -36.42 44.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.055 -167.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -54.57 -31.52 56.89 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 26' ' ' HIS . 21.4 m -54.16 -35.78 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 120.954 0.407 . . . . 0.0 111.625 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 95.6 m-70 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.516 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.6 p . . . . . 0 N--CA 1.44 -0.961 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -58.61 134.99 57.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.03 -40.56 82.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.332 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.3 -54.33 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.456 -172.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -94.65 -123.92 0.1 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.124 -0.631 . . . . 0.0 109.49 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 mt -159.01 35.32 0.21 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.085 0.469 . . . . 0.0 110.197 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 36.4 m -82.32 122.69 28.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.541 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.15 139.86 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.468 0.175 . . . . 0.0 110.688 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 24.7 m-85 -137.7 140.57 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -62.44 -43.84 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.631 . . . . 0.0 111.965 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.317 -0.825 0 O-C-N 121.948 -0.47 . . . . 0.0 110.839 -177.881 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 29' ' ' VAL . 64.1 t60 . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -49.05 -33.65 11.83 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -51.16 -31.22 19.17 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.0 m -61.17 -39.04 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.442 -179.809 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.95 135.74 57.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.297 0.57 . . . . 0.0 111.191 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -72.72 -36.17 67.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.466 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.423 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.1 mm -79.64 -52.7 14.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.267 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.3 p -96.82 -125.27 0.13 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 171.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 54.7 mt -160.27 36.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 110.033 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.437 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.4 m -82.66 123.3 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.81 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.34 135.27 33.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 0.0 110.515 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.437 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 17.4 m-85 -124.7 148.71 47.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.89 0.376 . . . . 0.0 110.555 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.0 p -58.36 -36.31 73.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.989 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -172.846 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' O ' HG22 ' A' ' 29' ' ' VAL . 73.8 t60 . . . . . 0 C--O 1.225 -0.236 0 CA-C-O 120.439 0.162 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.06 -38.14 36.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.404 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.11 -30.26 67.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 26' ' ' HIS . 17.3 m -51.5 -31.91 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.747 0.308 . . . . 0.0 111.44 -175.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 97.2 m-70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.717 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -63.72 136.91 57.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.057 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -70.49 -35.96 73.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.4 mm -81.6 -54.98 8.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.745 -174.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.07 -125.13 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -159.57 34.18 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.342 0.591 . . . . 0.0 109.906 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -80.07 120.28 24.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.55 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.92 127.82 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -112.24 148.63 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 110.982 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.9 p -62.03 -46.39 89.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.744 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -178.516 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 29' ' ' VAL . 71.8 t60 . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.7 tp -48.64 -40.24 27.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.52 -165.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -56.34 -26.79 53.78 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 26' ' ' HIS . 28.1 m -54.83 -37.26 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 118.047 0.385 . . . . 0.0 111.369 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 95.1 m-70 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.835 -177.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.96 137.11 51.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.486 0.66 . . . . 0.0 111.159 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -69.1 -37.74 78.57 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.341 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.8 mm -85.33 -55.6 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.03 -174.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.31 -123.92 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.641 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.7 mt -158.22 33.87 0.24 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.401 . . . . 0.0 109.958 175.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 m -82.83 124.76 30.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 174.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.38 138.96 30.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.608 0.242 . . . . 0.0 111.292 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.79 143.83 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.5 p -56.95 -35.66 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.597 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.32 -0.7 0 O-C-N 122.013 -0.429 . . . . 0.0 111.127 -175.476 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 29' ' ' VAL . 64.8 t60 . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 tp -48.8 -38.22 21.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.87 . . . . 0.0 113.114 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -53.72 -32.41 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 26' ' ' HIS . 21.9 m -53.75 -35.62 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.941 0.4 . . . . 0.0 111.602 -177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 96.4 m-70 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.067 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.2 p . . . . . 0 C--O 1.238 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.45 133.83 56.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.002 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -69.55 -35.41 75.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.12 -55.18 10.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.557 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.39 -124.14 0.11 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.0 mt -160.44 40.61 0.17 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.947 0.499 . . . . 0.0 109.839 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.441 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 30.3 m -87.43 125.1 34.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.041 176.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.74 138.99 30.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.504 -0.123 . . . . 0.0 110.738 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 26.2 m-85 -135.69 148.62 48.97 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 p -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.321 -0.657 0 O-C-N 121.682 -0.636 . . . . 0.0 111.529 -173.509 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 29' ' ' VAL . 69.0 t60 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.36 -32.46 17.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -170.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -52.61 -36.45 56.35 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 26' ' ' HIS . 34.9 m -55.63 -39.68 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -177.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.941 0.401 . . . . 0.0 110.422 -176.149 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.741 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.2 p . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.96 131.45 47.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.49 0.662 . . . . 0.0 110.657 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -68.17 -30.16 69.2 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.048 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -84.21 -54.36 9.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.89 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.78 -124.78 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.77 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.6 mt -155.05 37.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 0.0 110.55 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.5 m -87.35 121.38 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.03 135.4 33.57 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.948 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.46 155.71 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.4 p -73.19 -44.79 59.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.199 0.523 . . . . 0.0 111.602 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.627 -176.205 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.524 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.7 t60 . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.0 tp -49.74 -37.81 31.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -53.71 -30.68 44.99 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 26' ' ' HIS . 22.9 m -56.62 -34.74 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.588 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.235 0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -177.052 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.811 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.1 p . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -57.26 132.46 53.1 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.62 0.724 . . . . 0.0 111.182 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -67.91 -37.48 81.76 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.945 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -81.73 -51.85 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.504 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.88 -124.11 0.16 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.44 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -157.39 37.94 0.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.781 0.324 . . . . 0.0 110.933 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.47 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 18.1 m -90.08 121.22 31.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.48 129.31 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.22 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 5.6 m-85 -120.2 151.51 39.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 48.4 p -67.28 -45.51 76.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.918 0.39 . . . . 0.0 111.813 -177.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p . . . . . 0 C--N 1.317 -0.839 0 O-C-N 121.889 -0.507 . . . . 0.0 111.45 -176.799 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 29' ' ' VAL . 59.8 t60 . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.42 -33.1 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.951 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -53.43 -29.04 33.27 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 26' ' ' HIS . 21.7 m -59.08 -39.85 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.356 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.331 177.753 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -174.81 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.661 0.267 . . . . 0.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -162.38 -152.93 0.25 Allowed 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.17 52.72 50.13 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.328 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' HG2' ' HD2' ' A' ' 7' ' ' PRO . 37.3 ttmt -151.16 158.92 44.6 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 30.0 tpt180 -75.12 -31.69 1.15 Allowed Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -168.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.539 ' HD2' ' HG2' ' A' ' 5' ' ' LYS . 93.5 Cg_endo -72.29 28.17 0.26 Allowed 'Trans proline' 0 N--CA 1.483 0.877 0 C-N-CA 122.318 2.012 . . . . 0.0 113.914 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.742 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.6 m-30 -94.29 53.18 1.68 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.377 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.27 142.73 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.3 t -56.42 137.55 52.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.657 0.741 . . . . 0.0 111.552 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HG3' HG12 ' A' ' 12' ' ' ILE . 17.0 ptm180 -65.77 -36.69 84.27 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.286 -1.324 . . . . 0.0 111.24 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mm -88.81 -55.81 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.992 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -95.16 -128.52 0.14 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.876 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -153.66 36.17 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.232 0.539 . . . . 0.0 109.926 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 m -83.35 122.35 28.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.338 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.39 135.67 33.54 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.556 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.742 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 19.3 m-85 -125.0 149.93 47.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.575 0.226 . . . . 0.0 110.434 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -45.94 84.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.962 0.411 . . . . 0.0 111.689 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 p -119.16 148.04 43.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.838 0.352 . . . . 0.0 111.236 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.91 -37.44 63.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.579 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.92 80.2 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.26 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 75.6 m-20 -63.6 -43.24 97.51 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.123 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.38 -39.78 94.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.484 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.66 73.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.918 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 38.2 ptt180 -66.65 -35.97 81.43 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.95 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 29' ' ' VAL . 60.6 t60 -57.4 -41.63 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.338 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -48.44 -37.69 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.944 -170.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.0 pttp -53.27 -32.05 46.71 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 34' ' ' LEU . 18.6 m -56.15 -35.28 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 111.429 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 94.4 m-70 -77.74 42.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 30' ' ' HIS . 8.8 t 175.94 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.394 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -72.24 -66.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 90.6 m -163.15 136.77 5.86 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HA ' ' HB ' ' A' ' 29' ' ' VAL . 92.5 mt -76.08 132.08 39.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.061 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.34 -177.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -65.85 -41.46 91.65 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.549 0.204 . . . . 0.0 111.549 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -67.18 127.01 31.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 19' ' ' THR . . . 68.76 114.09 0.02 OUTLIER Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.593 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 55.5 tptt -173.3 133.71 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -174.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.693 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 42.9 mmt-85 -75.48 -37.7 2.48 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -169.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.693 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 36.3 Cg_endo -60.1 4.3 0.19 Allowed 'Trans proline' 0 N--CA 1.483 0.897 0 C-N-CA 123.208 2.605 . . . . 0.0 115.009 -176.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.778 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.0 m-30 -79.49 50.17 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.932 0.396 . . . . 0.0 110.608 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.3 p -77.57 140.07 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.13 55.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.505 0.669 . . . . 0.0 110.759 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -68.03 -35.96 79.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.135 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.78 -52.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.235 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -101.7 -123.38 0.18 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.908 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -157.26 36.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.592 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -85.99 119.42 26.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -92.62 134.78 34.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.087 -0.383 . . . . 0.0 110.74 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.778 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 8.8 m-85 -128.24 150.56 49.98 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.495 ' HB ' ' HA2' ' A' ' 4' ' ' GLY . 29.4 p -65.66 -45.75 81.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.844 0.354 . . . . 0.0 111.919 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 4' ' ' GLY . 78.4 p -112.91 147.95 35.98 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 122.041 -0.412 . . . . 0.0 111.317 -176.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 63.2 mttp -54.83 -37.59 66.35 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.149 173.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.75 79.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.141 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -66.31 -41.63 89.44 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.03 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.64 -40.49 97.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.355 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.48 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 39.5 ptt180 -68.3 -35.77 78.34 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.828 0.346 . . . . 0.0 110.353 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 29' ' ' VAL . 66.4 t60 -58.05 -42.33 85.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.46 176.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.43 -35.97 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -170.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -52.39 -32.93 41.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -176.326 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 26' ' ' HIS . 26.5 m -56.0 -37.96 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.665 0.269 . . . . 0.0 111.222 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -82.25 25.94 0.57 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -176.39 31.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -179.29 130.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.878 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 p -78.52 132.74 37.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.453 HD21 HG12 ' A' ' 29' ' ' VAL . 96.7 mt -77.56 128.65 34.51 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.22 0.533 . . . . 0.0 110.228 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.314 -0.963 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.96 179.748 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -63.2 -45.96 89.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 110.811 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.467 ' HA ' ' CG2' ' A' ' 19' ' ' THR . 70.0 m -164.22 125.44 2.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.82 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -130.13 1.05 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.774 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.541 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -72.04 -145.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 172.071 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 76.8 ttt180 -159.07 65.74 2.85 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-O 121.369 0.604 . . . . 0.0 111.279 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.468 ' HD3' ' HG3' ' A' ' 5' ' ' LYS . 1.5 Cg_endo -86.12 -31.47 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.853 3.036 . . . . 0.0 112.789 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -76.97 134.72 38.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.788 -165.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.9 p -130.92 139.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.82 133.5 55.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.354 0.597 . . . . 0.0 111.293 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.499 -179.429 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.7 mm -79.73 -52.02 15.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.441 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 p -96.24 -124.38 0.12 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 mt -159.96 37.46 0.18 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.493 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.6 m -82.29 123.0 28.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.045 176.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -86.42 130.87 34.35 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.208 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' HD2' ' HB3' ' A' ' 22' ' ' ASN . 17.6 m-85 -120.45 143.8 48.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.014 0.435 . . . . 0.0 110.979 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 41.7 p -59.34 -36.14 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.6 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 3' ' ' SER . 77.0 p -138.62 152.12 47.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -175.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -56.54 -33.81 66.45 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.988 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.59 81.69 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 30.9 m120 -68.09 -41.66 81.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.661 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.9 t -61.74 -40.88 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.37 89.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 40.7 ptt180 -65.98 -32.61 74.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.361 0.6 . . . . 0.0 109.876 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.625 ' O ' HG22 ' A' ' 29' ' ' VAL . 75.0 t60 -65.09 -45.77 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.028 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -48.9 -37.63 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -167.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.7 ptmt -53.82 -31.57 49.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 26' ' ' HIS . 26.7 m -54.71 -37.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.427 -177.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.2 m-70 -79.82 25.12 0.36 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.597 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -179.95 34.97 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.388 0.613 . . . . 0.0 110.848 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -169.0 149.79 4.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -77.4 135.95 38.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.019 0.438 . . . . 0.0 111.907 -174.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.607 HD21 HG12 ' A' ' 29' ' ' VAL . 92.6 mt -79.67 43.62 0.58 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.189 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 t . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.515 -179.015 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.939 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -70.17 136.81 50.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.544 0.212 . . . . 0.0 111.003 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.575 ' HB3' ' HA ' ' A' ' 19' ' ' THR . 51.6 m 61.51 -139.93 0.5 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.457 -176.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.18 -45.37 1.16 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.7 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.568 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 36.6 ttmt -64.78 137.57 57.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 80.5 mtm180 -106.34 39.69 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.735 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 71.7 Cg_endo -90.24 12.62 2.45 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 121.766 1.644 . . . . 0.0 110.348 171.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.735 ' CD1' ' HD2' ' A' ' 7' ' ' PRO . 4.6 m-30 -80.15 52.45 1.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.011 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p -76.72 140.3 17.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.193 0.52 . . . . 0.0 109.962 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.35 133.53 54.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.864 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -68.13 -36.43 79.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.493 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -78.31 -49.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.9 -172.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -102.82 -122.53 0.19 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt -159.54 34.92 0.19 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.932 0.493 . . . . 0.0 109.934 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.406 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 22.7 m -82.88 124.01 29.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.681 174.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.65 133.74 36.67 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.554 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 13.0 m-85 -124.02 151.97 43.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.528 ' HA ' ' HG2' ' A' ' 6' ' ' ARG . 44.7 p -65.76 -38.18 88.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 67.6 p -132.1 149.57 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.538 -171.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -54.09 -36.89 63.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.26 -46.88 69.41 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.265 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.551 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 68.1 m-20 -65.11 -46.0 82.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.506 176.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.6 -42.5 92.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.45 85.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 26' ' ' HIS . 7.0 ppt_? -72.72 -29.29 63.24 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.547 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 65.0 t60 -59.84 -44.84 93.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.779 176.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -48.8 -33.18 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.249 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 18.6 ptpt -52.56 -32.13 39.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.1 m -58.58 -36.78 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.446 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' HA ' HD13 ' A' ' 34' ' ' LEU . 93.0 m-70 -78.26 43.1 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.224 -0.298 . . . . 0.0 111.691 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 t -177.93 -45.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.765 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.93 -49.96 16.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -161.02 130.35 4.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.516 0.198 . . . . 0.0 110.517 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 30' ' ' HIS . 1.9 pt? -161.08 -42.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.063 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.85 -178.882 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -65.72 141.56 58.31 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.283 0.233 . . . . 0.0 110.837 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t 73.24 134.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.934 0.771 . . . . 0.0 111.132 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' H ' HG22 ' A' ' 19' ' ' THR . . . -72.36 -124.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.1 -0.954 . . . . 0.0 113.107 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -160.46 -170.65 2.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.573 0.349 . . . . 0.0 110.451 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.654 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 19.0 mmt85 -77.24 -34.44 1.2 Allowed Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -170.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 58.5 Cg_endo -65.87 13.03 0.12 Allowed 'Trans proline' 0 N--CA 1.483 0.892 0 C-N-CA 122.775 2.316 . . . . 0.0 114.76 -175.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.772 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.1 m-30 -85.02 48.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.718 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p -77.2 138.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.27 136.57 57.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.273 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -71.82 -40.23 69.25 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.697 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 44.8 mm -79.26 -51.25 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.343 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.4 p -96.42 -124.89 0.13 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.676 -0.81 . . . . 0.0 108.85 171.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 56.8 mt -160.09 39.66 0.18 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.234 0.54 . . . . 0.0 110.124 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.431 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 20.4 m -88.64 121.12 30.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.904 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.718 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.09 133.23 34.03 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.83 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.772 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 18.4 m-85 -124.01 144.75 49.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -66.47 -52.64 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.21 0.528 . . . . 0.0 112.236 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 4' ' ' GLY . 81.9 p -101.95 151.6 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -55.04 -39.46 69.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.25 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.57 -41.28 76.65 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.493 -175.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.544 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 83.3 m-20 -64.08 -43.06 96.57 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.852 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.37 -41.68 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.855 0.36 . . . . 0.0 110.581 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.88 83.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.086 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 36.6 ptt180 -67.23 -37.05 82.92 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.079 0.466 . . . . 0.0 110.532 178.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.7 t60 -59.89 -44.58 94.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.664 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -50.73 -36.77 38.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -169.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 15.0 ptmm? -54.06 -30.58 48.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -174.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 26' ' ' HIS . 30.5 m -58.0 -36.59 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.637 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.74 ' HA ' HD13 ' A' ' 34' ' ' LEU . 94.3 m-70 -77.16 47.56 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.23 0.538 . . . . 0.0 111.727 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 t 179.06 -39.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.767 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -71.23 -59.89 2.53 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.7 m -161.89 129.04 3.89 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 30' ' ' HIS . 1.8 pt? -151.78 54.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.357 0.599 . . . . 0.0 111.228 -173.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.978 178.905 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -76.25 52.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.518 0.327 . . . . 0.0 110.678 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m 71.81 139.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.39 -172.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.573 ' H ' HG22 ' A' ' 19' ' ' THR . . . -67.94 -129.25 0.03 OUTLIER Glycine 0 CA--C 1.521 0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 114.133 -172.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 81.7 tttt -162.0 168.36 22.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 20.4 tpp180 -75.19 -24.21 0.52 Allowed Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 44.5 Cg_endo -62.86 -1.36 2.67 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.404 2.069 . . . . 0.0 114.449 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.715 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.3 m-30 -77.8 52.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 122.435 0.294 . . . . 0.0 110.852 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.78 140.7 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.958 0.409 . . . . 0.0 110.04 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.02 135.39 57.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.398 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -68.22 -38.62 82.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.243 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -79.24 -51.83 16.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.409 -173.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.2 -121.87 0.16 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.861 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 mt -159.84 34.03 0.18 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.96 0.504 . . . . 0.0 110.422 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.495 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 28.8 m -83.51 124.92 31.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.943 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.29 132.9 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.868 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.715 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 21.8 m-85 -128.19 146.19 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p -67.65 -58.39 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.914 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.573 HG22 ' H ' ' A' ' 4' ' ' GLY . 81.2 p -96.82 151.57 19.53 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.319 -0.238 . . . . 0.0 111.29 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.95 -36.23 67.57 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.22 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.66 82.93 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.215 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 28.1 m120 -64.59 -43.24 94.47 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.599 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.76 -40.11 93.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.331 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.11 77.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.891 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.4 ptt180 -67.23 -30.55 70.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.93 0.395 . . . . 0.0 110.044 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.4 t60 -66.26 -48.15 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.57 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -48.65 -39.94 26.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.609 -168.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 14.5 ptmm? -55.92 -25.97 45.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 26' ' ' HIS . 23.6 m -57.49 -36.51 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 122.085 -0.384 . . . . 0.0 111.002 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' O ' HG23 ' A' ' 31' ' ' THR . 91.2 m-70 -77.74 34.3 0.18 Allowed 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 30' ' ' HIS . 10.3 p -162.28 -45.11 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 O-C-N 123.806 0.691 . . . . 0.0 109.741 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -74.65 -59.22 2.83 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 t -163.42 133.62 4.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.994 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.8 pt? -144.09 44.93 1.45 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.721 0.772 . . . . 0.0 109.678 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.524 177.496 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 CA-C-O 120.193 -0.226 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -57.15 128.37 36.64 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.807 0.303 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -174.35 136.35 0.47 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.672 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.77 -56.48 0.72 Allowed Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.974 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -71.79 148.88 45.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.8 0.3 . . . . 0.0 110.307 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HG2' HG22 ' A' ' 18' ' ' THR . 96.0 mtt180 -98.78 33.19 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 -171.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -81.84 4.57 6.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 CA-C-N 122.821 2.043 . . . . 0.0 110.435 172.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.644 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.4 m-30 -77.38 129.75 36.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.428 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 p -145.57 138.6 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.24 133.99 56.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.206 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -74.06 -32.56 63.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.438 HG21 ' CG ' ' A' ' 30' ' ' HIS . 41.2 mm -78.1 -50.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.978 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.3 p -104.52 -123.92 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.59 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 mt -160.02 39.48 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.294 0.568 . . . . 0.0 110.145 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -86.8 125.47 33.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.827 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 8' ' ' PHE . . . -89.59 138.78 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 36.7 m-85 -134.33 147.82 50.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.642 0.258 . . . . 0.0 110.481 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' HG2' ' A' ' 6' ' ' ARG . 33.1 p -60.46 -44.25 96.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 0.0 111.6 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.6 p -119.4 146.62 45.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.29 -171.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 68.7 mttm -56.37 -33.72 65.96 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.346 171.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.11 84.68 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.035 -1.439 . . . . 0.0 111.17 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 57.7 m-80 -63.74 -44.24 94.12 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.087 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.16 -39.7 79.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.83 75.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.789 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' HD2' ' N ' ' A' ' 26' ' ' HIS . 7.1 ppt_? -71.87 -32.5 67.52 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.556 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.603 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 69.6 t60 -58.41 -41.88 85.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 175.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.4 ptmt -53.31 -34.89 59.23 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 26' ' ' HIS . 24.3 m -54.13 -36.41 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CG ' HG21 ' A' ' 12' ' ' ILE . 93.4 m-70 -81.14 23.26 0.59 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.5 t -176.09 32.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.386 0.612 . . . . 0.0 110.336 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -170.92 132.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.079 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.4 m -78.41 131.61 37.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.2 mp -77.99 -50.31 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.182 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.184 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -168.78 135.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -165.8 136.3 3.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.334 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.52 137.88 37.9 Favored Glycine 0 N--CA 1.45 -0.375 0 O-C-N 123.782 0.676 . . . . 0.0 114.032 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 81.2 tttt -163.98 150.7 11.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.587 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 28.7 tpt180 -74.17 -29.4 0.98 Allowed Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 -164.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 95.3 Cg_endo -71.42 24.83 0.23 Allowed 'Trans proline' 0 N--CA 1.483 0.902 0 C-N-CA 122.368 2.045 . . . . 0.0 114.056 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.707 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -91.5 49.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.767 0.318 . . . . 0.0 110.246 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.59 143.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.577 -174.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 t -59.81 138.9 57.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.852 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -68.13 -43.46 78.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.627 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 45.4 mm -79.61 -50.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.813 -169.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -99.15 -124.54 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.246 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.5 mt -159.13 36.09 0.21 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -80.84 123.74 28.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.527 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -91.31 135.55 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.58 0.229 . . . . 0.0 110.739 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.707 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 8.4 m-85 -129.18 143.52 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.0 p -63.6 -58.83 5.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.827 0.346 . . . . 0.0 111.855 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -96.63 152.55 18.54 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 122.088 -0.383 . . . . 0.0 111.705 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.38 -38.25 63.19 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.392 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.74 -42.39 79.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.101 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 28.6 m120 -70.56 -43.95 68.44 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.424 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 42.1 t -63.1 -48.59 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.204 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.52 88.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 41.3 ptt180 -68.21 -31.48 71.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.819 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' O ' HG22 ' A' ' 29' ' ' VAL . 63.0 t60 -56.39 -41.45 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.614 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 4.2 mm? -47.32 -32.08 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -53.64 -36.67 62.31 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.867 ' HB ' HD13 ' A' ' 34' ' ' LEU . 29.8 m -55.16 -40.87 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 122.039 -0.413 . . . . 0.0 111.515 -176.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.4 m-70 -78.28 -54.26 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.16 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 27' ' ' LEU . 9.6 t -87.21 42.64 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.234 0.54 . . . . 0.0 111.941 -177.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.702 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 60.0 t0 -173.25 -98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 t -161.09 151.0 17.25 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.867 HD13 ' HB ' ' A' ' 29' ' ' VAL . 2.2 pt? -157.8 -43.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.467 ' H ' HD23 ' A' ' 34' ' ' LEU . 54.3 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.159 -0.924 . . . . 0.0 109.463 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 N-CA-C 112.381 -0.287 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -166.22 50.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.683 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 14.3 m -56.19 -52.56 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.512 ' H ' HG22 ' A' ' 19' ' ' THR . . . 51.38 48.66 47.6 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.69 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.587 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 5.0 ttmp? -145.2 127.02 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.686 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 44.7 mmm-85 -78.27 -31.48 0.78 Allowed Pre-proline 0 N--CA 1.475 0.818 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -167.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.686 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 52.0 Cg_endo -63.24 17.33 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 123.006 2.471 . . . . 0.0 114.177 -176.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.707 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.3 m-30 -86.01 49.5 1.79 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.1 p -77.7 136.76 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -175.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.6 131.75 47.88 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.758 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -70.42 -32.9 70.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.43 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -77.06 -48.52 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.68 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -104.07 -121.97 0.2 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.368 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -160.71 37.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 122.97 0.508 . . . . 0.0 110.25 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -83.77 125.27 31.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -95.6 131.8 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.776 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.707 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 28.8 m-85 -121.93 149.39 43.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.754 0.311 . . . . 0.0 111.143 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -69.75 -34.69 74.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' A' ' 3' ' ' SER . 80.9 p -133.92 151.52 51.52 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.811 -172.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -55.51 -34.79 64.94 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.438 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.44 77.32 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.168 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.664 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 74.3 m-20 -65.28 -42.69 92.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.2 t -62.13 -41.33 98.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.878 0.37 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.92 78.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.163 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -67.72 -35.76 79.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.79 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 29' ' ' VAL . 77.9 t60 -61.72 -47.93 83.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.191 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 tp -49.68 -39.07 35.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -165.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -55.36 -31.56 61.86 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 26' ' ' HIS . 28.9 m -51.93 -33.57 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.042 0.449 . . . . 0.0 111.731 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -79.1 -48.69 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -76.63 -51.67 11.12 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.02 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.95 122.45 36.46 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -79.18 134.52 36.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.957 0.408 . . . . 0.0 110.523 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 34' ' ' LEU . 5.6 mp -79.0 46.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.559 -178.841 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -72.54 50.61 0.24 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -76.94 52.16 0.84 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.149 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 19' ' ' THR . . . -53.5 137.31 38.82 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 113.433 -175.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.616 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 79.6 tttt -101.37 178.8 4.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.616 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 30.9 tpt180 -78.21 -34.86 1.11 Allowed Pre-proline 0 CA--C 1.555 1.148 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 93.8 Cg_endo -72.19 25.97 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 122.989 2.459 . . . . 0.0 114.481 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.8 m-30 -91.37 49.3 1.59 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.619 0.247 . . . . 0.0 110.745 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.85 140.77 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.97 134.58 56.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.637 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -66.97 -39.88 87.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.667 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mm -78.33 -48.36 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.19 -171.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 30.7 p -103.67 -122.9 0.2 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.609 172.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 55.3 mt -160.38 36.35 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 123.04 0.536 . . . . 0.0 109.772 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.479 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 33.0 m -84.21 124.76 31.54 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.824 175.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 138.04 31.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.644 0.259 . . . . 0.0 110.971 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 28.2 m-85 -136.48 150.51 48.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.641 0.257 . . . . 0.0 110.445 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -71.81 -63.51 1.12 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 120.94 0.4 . . . . 0.0 111.559 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.485 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 76.3 p -92.05 151.28 20.52 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.197 -0.314 . . . . 0.0 111.407 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 98.8 mttt -56.3 -35.81 67.96 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.913 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.38 79.35 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.195 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 29.8 m120 -64.45 -43.25 94.86 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.853 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.51 -41.07 98.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.427 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.64 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.741 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.2 ptt180 -68.66 -35.01 76.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.418 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.607 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.3 t60 -57.45 -43.59 84.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.445 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.5 tp -48.27 -39.5 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.5 pttp -57.96 -23.42 53.7 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 26' ' ' HIS . 20.8 m -57.47 -38.1 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.128 0.422 . . . . 0.0 110.286 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -79.65 25.17 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 t -173.75 35.01 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.284 1.04 . . . . 0.0 109.555 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -168.13 -50.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.901 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 m -90.24 50.49 1.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.541 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -152.64 141.08 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.934 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.026 -0.988 . . . . 0.0 108.66 -178.815 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -177.56 -126.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.785 ' HA ' HG22 ' A' ' 19' ' ' THR . 49.3 m 68.11 127.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.898 0.879 . . . . 0.0 111.787 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.03 -132.11 2.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.705 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 40.0 ttmt -58.54 149.9 24.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.293 -0.453 . . . . 0.0 110.777 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 51.7 ttp85 -105.8 59.67 0.15 Allowed Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.705 ' HD3' ' C ' ' A' ' 5' ' ' LYS . 2.7 Cg_endo -82.44 -2.64 11.15 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 121.806 1.671 . . . . 0.0 110.091 173.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 13.1 m-30 -77.38 134.87 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.33 -169.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 6.0 p -145.37 141.24 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.98 134.82 57.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.276 0.56 . . . . 0.0 110.693 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -70.94 -37.67 72.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.263 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 mm -79.71 -52.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.252 -176.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -99.23 -123.61 0.15 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.889 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -157.64 35.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.049 0.452 . . . . 0.0 110.199 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 m -82.34 121.59 26.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 175.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.05 138.61 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' HD2' ' HB3' ' A' ' 22' ' ' ASN . 38.7 m-85 -131.75 141.64 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 110.961 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.496 ' CG2' ' HD3' ' A' ' 6' ' ' ARG . 39.9 p -61.03 -36.72 80.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.876 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 3' ' ' SER . 59.5 p -133.91 150.41 51.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.524 -173.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 1.2 mmmp? -56.51 -33.68 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.597 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.545 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 32.0 m120 -70.18 -42.17 72.78 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 111.084 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.58 -37.87 89.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.665 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -46.46 81.4 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.624 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.3 ptt180 -68.79 -34.12 75.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.986 0.422 . . . . 0.0 110.547 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.596 ' O ' HG22 ' A' ' 29' ' ' VAL . 76.4 t60 -62.79 -46.06 89.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.139 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.35 -39.17 45.59 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -166.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.3 pttp -52.94 -28.95 25.97 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -176.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.769 ' HB ' ' HA ' ' A' ' 34' ' ' LEU . 23.2 m -57.31 -36.3 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 93.6 m-70 -79.7 42.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -175.3 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -83.28 -145.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.0 p -79.83 139.84 37.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.769 ' HA ' ' HB ' ' A' ' 29' ' ' VAL . 5.9 mp -77.92 47.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -174.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.634 177.234 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.396 -0.282 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -76.22 -134.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.483 0.313 . . . . 0.0 110.22 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -71.47 124.32 24.36 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.17 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.91 -139.65 5.28 Favored Glycine 0 CA--C 1.516 0.123 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.263 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.651 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 6.4 ptpp? -78.09 -173.43 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -115.08 63.58 1.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.651 ' HD3' ' C ' ' A' ' 5' ' ' LYS . 5.5 Cg_endo -83.13 -27.98 1.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.109 2.54 . . . . 0.0 112.085 176.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -75.62 130.58 38.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.631 -170.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.4 p -128.94 139.09 52.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.9 t -58.03 136.51 57.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.21 0.528 . . . . 0.0 110.95 -176.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -70.98 -37.32 72.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.794 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.18 -51.78 15.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.579 -176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.33 -124.63 0.16 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.797 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 mt -158.1 36.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.163 0.506 . . . . 0.0 110.391 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 m -82.77 122.51 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.995 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -85.15 138.34 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 0.0 110.977 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.653 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 27.9 m-85 -136.2 151.57 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 34.4 p -63.72 -41.24 98.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.289 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 p -135.53 156.29 49.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.464 -168.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.22 -29.21 65.52 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.078 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -49.23 75.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.098 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -68.52 -41.03 80.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.962 176.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.13 -39.06 88.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.491 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.86 80.01 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.936 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 39.3 ptt180 -64.86 -36.88 85.77 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.657 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.687 ' O ' HG22 ' A' ' 29' ' ' VAL . 73.8 t60 -62.85 -46.83 86.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.834 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -49.17 -39.49 29.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -168.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.8 pttp -60.13 -22.98 63.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.7 m -57.57 -36.12 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 118.655 0.662 . . . . 0.0 110.941 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.701 ' HA ' HD12 ' A' ' 34' ' ' LEU . 93.6 m-70 -75.45 -45.64 37.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.297 0.57 . . . . 0.0 109.614 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -85.92 40.34 0.85 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.993 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -171.17 -69.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 29' ' ' VAL . 9.8 t -84.07 39.2 0.69 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.347 0.594 . . . . 0.0 111.483 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 30' ' ' HIS . 76.7 mt -141.27 43.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.4 172.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.682 178.285 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 p 52.02 41.31 29.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.819 0.848 . . . . 0.0 112.806 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.589 ' HA ' HG22 ' A' ' 19' ' ' THR . 59.5 p -77.62 132.88 38.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 173.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.04 -129.39 1.91 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 118.859 -1.639 . . . . 0.0 114.938 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 23.1 pttm -55.49 156.14 4.83 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.178 0.991 . . . . 0.0 112.851 -174.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 64.4 ttt-85 -102.76 42.89 0.04 OUTLIER Pre-proline 0 CA--C 1.566 1.558 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD3' ' C ' ' A' ' 5' ' ' LYS . 91.1 Cg_endo -85.55 3.33 7.24 Favored 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 121.528 1.485 . . . . 0.0 111.103 173.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.743 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.7 m-30 -77.68 138.23 38.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.127 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 5.2 p -149.68 143.26 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.46 135.74 57.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.74 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -76.33 -30.93 57.86 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.233 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 mm -79.49 -54.31 11.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.509 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.6 -124.85 0.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.306 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 mt -157.52 36.92 0.27 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.212 0.529 . . . . 0.0 109.82 175.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 m -80.32 123.26 27.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.783 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.95 140.49 29.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.743 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 42.4 m-85 -136.82 151.09 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 p -66.8 -38.23 86.1 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.223 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 3' ' ' SER . 63.0 p -133.83 151.2 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.894 -0.504 . . . . 0.0 111.567 -169.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -54.24 -36.06 63.14 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.782 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.8 68.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.56 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.42 -42.88 74.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.962 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.92 -41.92 99.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.688 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.1 ptt180 -66.91 -36.81 83.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 68.6 t60 -57.15 -44.83 83.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.779 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -51.47 -36.42 44.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.055 -167.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.1 pttm -54.57 -31.52 56.89 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -175.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.87 HG12 HD11 ' A' ' 34' ' ' LEU . 21.4 m -54.16 -35.78 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 120.954 0.407 . . . . 0.0 111.625 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 95.6 m-70 -78.92 -48.65 14.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.683 -173.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -144.22 141.61 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.982 0.42 . . . . 0.0 110.167 -172.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 m -75.66 131.55 39.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.87 HD11 HG12 ' A' ' 29' ' ' VAL . 83.1 mt -77.75 141.32 39.36 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.084 -173.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.312 -1.051 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.631 178.077 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.4 m -65.77 135.14 54.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.644 0.259 . . . . 0.0 110.885 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' THR . 72.5 m 62.57 53.25 2.68 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.463 0.649 . . . . 0.0 111.866 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.89 136.58 2.54 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.11 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 4.3 tppp? 69.07 145.97 0.05 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -175.322 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 75.2 ttt180 -104.6 51.79 0.1 OUTLIER Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -172.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.795 ' HD3' ' C ' ' A' ' 5' ' ' LYS . 9.1 Cg_endo -84.91 -13.33 6.76 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.282 1.988 . . . . 0.0 110.6 174.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 3.2 m-30 -76.21 134.68 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.459 -173.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.516 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.6 p -140.05 141.01 34.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -58.61 134.99 57.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.03 -40.56 82.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.332 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.3 -54.33 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.456 -172.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -94.65 -123.92 0.1 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.124 -0.631 . . . . 0.0 109.49 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 mt -159.01 35.32 0.21 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.085 0.469 . . . . 0.0 110.197 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 36.4 m -82.32 122.69 28.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.541 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.15 139.86 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.468 0.175 . . . . 0.0 110.688 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.7 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 24.7 m-85 -137.7 140.57 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 19.0 p -62.44 -43.84 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.631 . . . . 0.0 111.965 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' A' ' 3' ' ' SER . 31.3 p -109.06 146.29 34.23 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 121.948 -0.47 . . . . 0.0 110.839 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 98.1 mttt -57.3 -33.67 67.92 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.038 0.923 . . . . 0.0 108.755 168.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.75 83.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.397 -1.729 . . . . 0.0 111.632 -176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 27.2 m120 -66.4 -40.87 89.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.434 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.9 t -61.0 -39.41 89.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.16 78.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.812 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.1 ptt180 -69.74 -30.96 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.042 0.449 . . . . 0.0 110.614 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 29' ' ' VAL . 64.1 t60 -59.86 -42.61 94.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.501 176.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -49.05 -33.65 11.83 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.3 pttm -51.16 -31.22 19.17 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -175.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.0 m -61.17 -39.04 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -178.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.9 44.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.442 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 t -173.92 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.268 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.44 -57.53 3.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.141 0.496 . . . . 0.0 110.882 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -163.17 136.4 5.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.192 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.9 pt? -135.1 145.06 47.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.136 0.493 . . . . 0.0 110.708 -174.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.14 -179.178 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -70.77 -47.69 58.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.627 0.214 . . . . 0.0 111.321 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t 65.58 129.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.804 0.69 . . . . 0.0 111.113 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 146.29 7.07 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.672 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.726 ' O ' ' HA ' ' A' ' 18' ' ' THR . 87.0 tttt 66.98 172.36 0.26 Allowed 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 122.61 0.364 . . . . 0.0 110.147 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 57.7 mtt85 -142.17 60.35 10.49 Favored Pre-proline 0 N--CA 1.47 0.572 0 O-C-N 121.803 -0.561 . . . . 0.0 111.514 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 6' ' ' ARG . 5.6 Cg_exo -78.04 -42.31 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.867 2.378 . . . . 0.0 112.499 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 19' ' ' THR . 13.6 m-85 -77.79 126.01 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.992 -168.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.7 p -118.56 140.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.95 135.74 57.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.297 0.57 . . . . 0.0 111.191 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -72.72 -36.17 67.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.466 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.423 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.1 mm -79.64 -52.7 14.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.267 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.3 p -96.82 -125.27 0.13 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 171.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 54.7 mt -160.27 36.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 110.033 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.437 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.4 m -82.66 123.3 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.81 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.34 135.27 33.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 0.0 110.515 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.488 ' HD2' ' HB3' ' A' ' 22' ' ' ASN . 17.4 m-85 -124.7 148.71 47.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.89 0.376 . . . . 0.0 110.555 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.726 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 64.0 p -58.36 -36.31 73.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.989 -177.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.55 ' HA ' ' CE2' ' A' ' 8' ' ' PHE . 70.0 p -143.13 154.88 44.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -172.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.68 -34.19 57.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.244 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.94 73.94 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.852 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.488 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 72.4 m-80 -70.71 -42.73 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.316 175.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.995 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.9 75.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 38.8 ptt180 -66.79 -36.44 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 110.743 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' O ' HG22 ' A' ' 29' ' ' VAL . 73.8 t60 -62.91 -47.52 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.06 -38.14 36.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.404 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 66.0 pttt -59.11 -30.26 67.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 26' ' ' HIS . 17.3 m -51.5 -31.91 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.747 0.308 . . . . 0.0 111.44 -175.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 97.2 m-70 -78.6 37.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.717 -178.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t 177.43 -45.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.228 0.611 . . . . 0.0 109.383 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -86.18 123.29 31.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.0 p -79.37 136.92 37.12 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.903 0.382 . . . . 0.0 111.736 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -79.38 46.59 0.75 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.254 1.298 0 CA-C-O 117.693 -1.146 . . . . 0.0 108.458 -177.214 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.919 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -170.0 -135.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 m -62.72 129.87 42.44 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' H ' HG22 ' A' ' 19' ' ' THR . . . -74.37 -132.19 0.25 Allowed Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.499 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 60.2 tttp -165.9 174.48 9.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.572 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 22.2 tpp180 -76.8 -31.94 0.96 Allowed Pre-proline 0 CA--C 1.55 0.976 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -170.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 96.6 Cg_endo -71.52 27.5 0.23 Allowed 'Trans proline' 0 N--CA 1.483 0.894 0 C-N-CA 122.361 2.041 . . . . 0.0 113.272 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.3 m-30 -94.97 44.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.668 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p -78.32 143.86 12.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.44 -174.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -63.72 136.91 57.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.057 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -70.49 -35.96 73.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.4 mm -81.6 -54.98 8.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.745 -174.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.07 -125.13 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -159.57 34.18 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.342 0.591 . . . . 0.0 109.906 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -80.07 120.28 24.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.55 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.92 127.82 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 5.6 m-85 -112.24 148.63 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.9 p -62.03 -46.39 89.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.744 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.528 HG22 ' H ' ' A' ' 4' ' ' GLY . 80.5 p -117.53 148.72 41.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 98.9 mttt -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.205 175.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.26 81.57 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.496 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 28.3 m120 -67.97 -42.54 80.7 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.068 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 45.4 t -61.99 -40.18 94.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.92 0.391 . . . . 0.0 110.572 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.04 87.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.068 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 41.0 ptt180 -67.3 -33.88 76.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.998 0.428 . . . . 0.0 110.232 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 29' ' ' VAL . 71.8 t60 -58.52 -45.25 89.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.159 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.7 tp -48.64 -40.24 27.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.52 -165.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -56.34 -26.79 53.78 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 26' ' ' HIS . 28.1 m -54.83 -37.26 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 118.047 0.385 . . . . 0.0 111.369 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 95.1 m-70 -78.44 40.83 0.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.835 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 t -178.1 -40.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.161 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -72.43 -100.12 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 34' ' ' LEU . 5.8 mp -79.27 -41.43 28.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.19 -0.909 . . . . 0.0 109.831 -179.466 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -157.8 45.63 0.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.711 0.767 . . . . 0.0 109.862 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -161.9 134.08 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.898 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 5' ' ' LYS . . . -177.93 144.15 6.4 Favored Glycine 0 CA--C 1.508 -0.352 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.72 -173.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.696 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 50.6 tptt 73.11 134.74 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -172.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.793 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 38.5 ttm180 -109.76 68.74 0.46 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-O 120.724 0.297 . . . . 0.0 111.715 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.696 ' HG3' ' HG3' ' A' ' 5' ' ' LYS . 4.7 Cg_exo -77.68 -42.77 0.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.439 2.092 . . . . 0.0 112.438 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 19' ' ' THR . 30.4 m-85 -79.5 130.31 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.399 -167.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p -114.18 142.64 26.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 169.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.96 137.11 51.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.486 0.66 . . . . 0.0 111.159 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -69.1 -37.74 78.57 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.341 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.8 mm -85.33 -55.6 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.03 -174.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.31 -123.92 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.641 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.7 mt -158.22 33.87 0.24 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.401 . . . . 0.0 109.958 175.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 m -82.83 124.76 30.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 174.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.38 138.96 30.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.608 0.242 . . . . 0.0 111.292 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.79 143.83 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.793 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 40.5 p -56.95 -35.66 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.597 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 8' ' ' PHE . 68.8 p -141.19 153.61 45.4 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.013 -0.429 . . . . 0.0 111.127 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 23' ' ' CYS . 58.6 mttm -57.28 -29.79 64.16 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.293 170.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.34 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.549 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 31.3 m120 -74.73 -42.71 57.79 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 20' ' ' LYS . 41.8 t -61.16 -39.85 91.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.7 -175.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.65 93.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.753 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.1 ptt180 -66.34 -35.21 79.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 29' ' ' VAL . 64.8 t60 -61.2 -45.19 95.62 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.38 174.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 tp -48.8 -38.22 21.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.87 . . . . 0.0 113.114 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 18.7 ptpt -53.72 -32.41 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 26' ' ' HIS . 21.9 m -53.75 -35.62 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.941 0.4 . . . . 0.0 111.602 -177.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 96.4 m-70 -78.56 -49.89 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.067 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.6 p -74.01 -31.64 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.893 -173.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.6 142.26 33.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.404 0.621 . . . . 0.0 111.468 -171.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 t -77.13 129.28 35.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.545 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD11 HG12 ' A' ' 29' ' ' VAL . 74.0 mt -87.22 38.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.999 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 p . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.888 -178.46 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -62.97 -48.02 80.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.592 0.234 . . . . 0.0 110.914 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -162.07 134.55 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 19' ' ' THR . . . -76.0 -134.07 0.48 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.631 -0.713 . . . . 0.0 113.217 -176.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -173.8 -171.05 0.62 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.059 0.544 . . . . 0.0 110.68 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.613 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 12.3 tpt180 -76.94 -36.13 1.53 Allowed Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -169.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 71.3 Cg_endo -68.55 22.82 0.14 Allowed 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.913 2.409 . . . . 0.0 114.461 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.769 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.4 m-30 -91.3 50.96 1.83 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.621 0.248 . . . . 0.0 111.438 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.2 p -78.13 139.64 18.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 -178.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.45 133.83 56.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.002 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -69.55 -35.41 75.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.12 -55.18 10.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.557 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.39 -124.14 0.11 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.0 mt -160.44 40.61 0.17 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.947 0.499 . . . . 0.0 109.839 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.441 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 30.3 m -87.43 125.1 34.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.041 176.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.74 138.99 30.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.504 -0.123 . . . . 0.0 110.738 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.769 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 26.2 m-85 -135.69 148.62 48.97 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 p -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 4' ' ' GLY . 74.5 p -126.23 153.21 45.03 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.682 -0.636 . . . . 0.0 111.529 -173.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -54.79 -38.0 66.75 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.205 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.56 -43.89 76.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.332 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 82.3 m-20 -68.45 -41.93 79.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.713 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.18 -42.06 99.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.75 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.7 ptt180 -65.59 -35.95 82.32 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 121.107 0.479 . . . . 0.0 109.884 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 29' ' ' VAL . 69.0 t60 -58.68 -44.14 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.727 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.36 -32.46 17.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -170.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 63.1 pttt -52.61 -36.45 56.35 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 26' ' ' HIS . 34.9 m -55.63 -39.68 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -177.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.44 -38.09 56.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.941 0.401 . . . . 0.0 110.422 -176.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.415 HG21 HD21 ' A' ' 34' ' ' LEU . 10.6 m -97.58 29.41 3.32 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.157 0.504 . . . . 0.0 109.791 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 65.01 -51.24 0.34 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.951 0.901 . . . . 0.0 113.086 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -161.36 140.28 9.94 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 28' ' ' LYS . 98.7 mt -147.19 -41.75 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.539 -176.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.327 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -70.04 135.02 48.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.616 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 75.9 p -159.67 -143.09 0.1 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' HA2' ' HB ' ' A' ' 18' ' ' THR . . . 58.75 46.54 93.28 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.015 -176.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.628 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 61.2 tttm -157.13 141.0 16.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -168.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 25.9 mmm180 -76.0 -14.57 0.23 Allowed Pre-proline 0 CA--C 1.555 1.165 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -164.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.628 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 56.1 Cg_endo -66.67 -2.87 8.26 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 122.444 1.908 . . . . 0.0 113.539 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.808 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -77.18 55.99 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 111.021 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.741 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.2 p -76.88 139.74 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.96 131.45 47.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.49 0.662 . . . . 0.0 110.657 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -68.17 -30.16 69.2 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.048 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -84.21 -54.36 9.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.89 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.78 -124.78 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.77 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.6 mt -155.05 37.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 0.0 110.55 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.5 m -87.35 121.38 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.03 135.4 33.57 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.948 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.808 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 18.4 m-85 -127.46 155.71 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.445 ' HB ' ' HA2' ' A' ' 4' ' ' GLY . 36.4 p -73.19 -44.79 59.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.199 0.523 . . . . 0.0 111.602 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.616 ' HA ' ' HB2' ' A' ' 3' ' ' SER . 69.6 p -116.9 147.67 42.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.627 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 97.5 mttt -56.57 -35.23 67.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.97 173.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.92 -41.62 74.84 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.264 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -65.32 -43.66 90.3 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.78 -38.81 86.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.577 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.89 88.39 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.027 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -69.15 -35.57 76.48 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.148 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.524 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.7 t60 -57.64 -42.94 84.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.524 175.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.0 tp -49.74 -37.81 31.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -53.71 -30.68 44.99 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 26' ' ' HIS . 22.9 m -56.62 -34.74 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.588 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -77.98 42.21 0.38 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 t 179.55 -50.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.838 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -91.86 32.23 1.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.722 0.772 . . . . 0.0 110.118 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.421 ' O ' HG22 ' A' ' 33' ' ' THR . 30.0 m -161.13 36.65 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -159.62 47.93 0.29 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.655 -1.611 . . . . 0.0 108.292 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 -172.894 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -67.11 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 111.463 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -72.47 -24.08 61.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.423 0.63 . . . . 0.0 110.706 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' THR . . . 83.11 127.67 1.22 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 50.2 tttm -170.34 145.29 2.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 -177.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.586 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 31.9 mmm-85 -74.73 -24.73 0.56 Allowed Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 -167.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 62.0 Cg_endo -67.5 7.22 0.55 Allowed 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.895 1.73 . . . . 0.0 113.75 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.773 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.8 m-30 -79.41 53.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.02 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.811 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.1 p -77.4 141.81 15.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -57.26 132.46 53.1 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.62 0.724 . . . . 0.0 111.182 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -67.91 -37.48 81.76 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.945 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -81.73 -51.85 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.504 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.88 -124.11 0.16 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.44 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -157.39 37.94 0.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.781 0.324 . . . . 0.0 110.933 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.47 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 18.1 m -90.08 121.22 31.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.48 129.31 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.22 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.773 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 5.6 m-85 -120.2 151.51 39.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' ' HA2' ' A' ' 4' ' ' GLY . 48.4 p -67.28 -45.51 76.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.918 0.39 . . . . 0.0 111.813 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -109.89 150.09 28.94 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.889 -0.507 . . . . 0.0 111.45 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.34 -35.88 65.68 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.818 0.818 . . . . 0.0 108.989 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.4 93.03 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.995 -1.457 . . . . 0.0 111.449 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 22.8 m120 -65.37 -41.0 94.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.876 176.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.8 t -60.2 -40.12 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.31 85.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.061 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.2 ptt180 -67.33 -37.23 82.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.222 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 29' ' ' VAL . 59.8 t60 -59.98 -43.3 95.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.726 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.42 -33.1 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.951 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.2 ptmt -53.43 -29.04 33.27 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 34' ' ' LEU . 21.7 m -59.08 -39.85 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.356 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -79.79 31.18 0.25 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.331 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -171.37 30.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 33' ' ' THR . 32.1 t70 -172.1 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 113.722 -1.581 . . . . 0.0 108.009 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.411 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 39.0 m -79.37 129.0 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.445 0.164 . . . . 0.0 110.649 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HA ' ' HB ' ' A' ' 29' ' ' VAL . 91.6 mt -78.17 -41.18 35.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.97 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.904 -177.069 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 N--CA 1.449 -0.507 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.3 t -56.42 137.55 52.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.657 0.741 . . . . 0.0 111.552 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HG3' HG12 ' A' ' 12' ' ' ILE . 17.0 ptm180 -65.77 -36.69 84.27 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.286 -1.324 . . . . 0.0 111.24 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mm -88.81 -55.81 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.992 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -95.16 -128.52 0.14 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.876 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -153.66 36.17 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.232 0.539 . . . . 0.0 109.926 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 m -83.35 122.35 28.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.338 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.39 135.67 33.54 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.556 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -125.0 149.93 47.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.575 0.226 . . . . 0.0 110.434 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -45.94 84.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.962 0.411 . . . . 0.0 111.689 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 p . . . . . 0 C--N 1.322 -0.629 0 CA-C-O 120.838 0.352 . . . . 0.0 111.236 -176.577 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 29' ' ' VAL . 60.6 t60 . . . . . 0 CA--C 1.531 0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -48.44 -37.69 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.944 -170.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -53.27 -32.05 46.71 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 26' ' ' HIS . 18.6 m -56.15 -35.28 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 111.429 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 94.4 m-70 . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.3 p . . . . . 0 N--CA 1.446 -0.628 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.13 55.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.505 0.669 . . . . 0.0 110.759 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -68.03 -35.96 79.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.135 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.78 -52.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.235 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -101.7 -123.38 0.18 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.908 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -157.26 36.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.592 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -85.99 119.42 26.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -92.62 134.78 34.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.087 -0.383 . . . . 0.0 110.74 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -128.24 150.56 49.98 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.4 p -65.66 -45.75 81.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.844 0.354 . . . . 0.0 111.919 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 C--N 1.317 -0.821 0 O-C-N 122.041 -0.412 . . . . 0.0 111.317 -176.442 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 29' ' ' VAL . 66.4 t60 . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 120.699 0.285 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.43 -35.97 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -170.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -52.39 -32.93 41.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -176.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 26' ' ' HIS . 26.5 m -56.0 -37.96 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.665 0.269 . . . . 0.0 111.222 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 . . . . . 0 C--O 1.235 0.301 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.671 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.9 p . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.82 133.5 55.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.354 0.597 . . . . 0.0 111.293 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.499 -179.429 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.7 mm -79.73 -52.02 15.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.441 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 p -96.24 -124.38 0.12 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 mt -159.96 37.46 0.18 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.493 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.6 m -82.29 123.0 28.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.045 176.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -86.42 130.87 34.35 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.208 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.493 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 17.6 m-85 -120.45 143.8 48.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.014 0.435 . . . . 0.0 110.979 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.7 p -59.34 -36.14 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.6 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 77.0 p . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -175.241 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.625 ' O ' HG22 ' A' ' 29' ' ' VAL . 75.0 t60 . . . . . 0 C--O 1.224 -0.271 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -48.9 -37.63 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -167.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -53.82 -31.57 49.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 26' ' ' HIS . 26.7 m -54.71 -37.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.427 -177.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.2 m-70 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.597 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p . . . . . 0 N--CA 1.448 -0.538 0 CA-C-O 121.193 0.52 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.35 133.53 54.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.864 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -68.13 -36.43 79.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.493 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -78.31 -49.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.9 -172.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -102.82 -122.53 0.19 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt -159.54 34.92 0.19 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.932 0.493 . . . . 0.0 109.934 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.406 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 22.7 m -82.88 124.01 29.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.681 174.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.65 133.74 36.67 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.554 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 13.0 m-85 -124.02 151.97 43.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.7 p -65.76 -38.18 88.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.538 -171.569 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.506 ' O ' HG22 ' A' ' 29' ' ' VAL . 65.0 t60 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 111.779 0.289 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -48.8 -33.18 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.249 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -52.56 -32.13 39.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.1 m -58.58 -36.78 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.446 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 122.224 -0.298 . . . . 0.0 111.691 -179.197 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.718 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.27 136.57 57.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.273 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -71.82 -40.23 69.25 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.697 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 44.8 mm -79.26 -51.25 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.343 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.4 p -96.42 -124.89 0.13 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.676 -0.81 . . . . 0.0 108.85 171.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 56.8 mt -160.09 39.66 0.18 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.234 0.54 . . . . 0.0 110.124 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.431 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 20.4 m -88.64 121.12 30.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.904 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.718 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.09 133.23 34.03 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.83 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.431 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 18.4 m-85 -124.01 144.75 49.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -66.47 -52.64 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.21 0.528 . . . . 0.0 112.236 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.9 p . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.948 -179.885 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.594 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.7 t60 . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -50.73 -36.77 38.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -169.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 ptmm? -54.06 -30.58 48.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 26' ' ' HIS . 30.5 m -58.0 -36.59 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.637 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 94.3 m-70 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.23 0.538 . . . . 0.0 111.727 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 C--O 1.236 0.368 0 CA-C-O 120.958 0.409 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.02 135.39 57.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.398 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -68.22 -38.62 82.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.243 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -79.24 -51.83 16.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.409 -173.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.2 -121.87 0.16 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.861 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 mt -159.84 34.03 0.18 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.96 0.504 . . . . 0.0 110.422 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.495 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 28.8 m -83.51 124.92 31.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.943 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.29 132.9 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.868 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.495 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 21.8 m-85 -128.19 146.19 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p -67.65 -58.39 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.914 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.32 -0.703 0 O-C-N 122.319 -0.238 . . . . 0.0 111.29 -179.758 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.4 t60 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -48.65 -39.94 26.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.609 -168.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -55.92 -25.97 45.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 26' ' ' HIS . 23.6 m -57.49 -36.51 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 122.085 -0.384 . . . . 0.0 111.002 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.779 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.442 -0.853 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.24 133.99 56.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.206 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -74.06 -32.56 63.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.438 HG21 ' CG ' ' A' ' 30' ' ' HIS . 41.2 mm -78.1 -50.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.978 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.3 p -104.52 -123.92 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.59 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 mt -160.02 39.48 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.294 0.568 . . . . 0.0 110.145 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -86.8 125.47 33.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.827 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.59 138.78 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -134.33 147.82 50.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.642 0.258 . . . . 0.0 110.481 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 33.1 p -60.46 -44.25 96.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 0.0 111.6 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.29 -171.014 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.557 ' O ' HG22 ' A' ' 29' ' ' VAL . 69.6 t60 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.644 0.259 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -53.31 -34.89 59.23 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 26' ' ' HIS . 24.3 m -54.13 -36.41 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CG ' HG21 ' A' ' 12' ' ' ILE . 93.4 m-70 . . . . . 0 C--O 1.234 0.268 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p . . . . . 0 C--O 1.237 0.397 0 CA-C-O 120.981 0.419 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 t -59.81 138.9 57.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.852 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -68.13 -43.46 78.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.627 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 45.4 mm -79.61 -50.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.813 -169.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -99.15 -124.54 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.246 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.5 mt -159.13 36.09 0.21 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -80.84 123.74 28.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.527 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -91.31 135.55 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.58 0.229 . . . . 0.0 110.739 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -129.18 143.52 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.0 p -63.6 -58.83 5.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.827 0.346 . . . . 0.0 111.855 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p . . . . . 0 C--N 1.318 -0.796 0 O-C-N 122.088 -0.383 . . . . 0.0 111.705 -177.673 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' O ' HG22 ' A' ' 29' ' ' VAL . 63.0 t60 . . . . . 0 CA--C 1.528 0.122 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -47.32 -32.08 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' NZ ' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -53.64 -36.67 62.31 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 26' ' ' HIS . 29.8 m -55.16 -40.87 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 122.039 -0.413 . . . . 0.0 111.515 -176.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.4 m-70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.16 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.1 p . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.6 131.75 47.88 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.758 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -70.42 -32.9 70.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.43 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -77.06 -48.52 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.68 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -104.07 -121.97 0.2 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.368 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -160.71 37.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 122.97 0.508 . . . . 0.0 110.25 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -83.77 125.27 31.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -95.6 131.8 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.776 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -121.93 149.39 43.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.754 0.311 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -69.75 -34.69 74.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 C--N 1.318 -0.791 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.811 -172.196 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 29' ' ' VAL . 77.9 t60 . . . . . 0 C--O 1.226 -0.154 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 tp -49.68 -39.07 35.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -165.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -55.36 -31.56 61.86 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 26' ' ' HIS . 28.9 m -51.93 -33.57 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.042 0.449 . . . . 0.0 111.731 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -178.483 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.97 134.58 56.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.637 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -66.97 -39.88 87.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.667 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mm -78.33 -48.36 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.19 -171.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 30.7 p -103.67 -122.9 0.2 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.609 172.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 55.3 mt -160.38 36.35 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 123.04 0.536 . . . . 0.0 109.772 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.479 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 33.0 m -84.21 124.76 31.54 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.824 175.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 138.04 31.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.644 0.259 . . . . 0.0 110.971 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.479 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 28.2 m-85 -136.48 150.51 48.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.641 0.257 . . . . 0.0 110.445 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -71.81 -63.51 1.12 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 120.94 0.4 . . . . 0.0 111.559 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.3 p . . . . . 0 C--N 1.32 -0.694 0 O-C-N 122.197 -0.314 . . . . 0.0 111.407 -179.428 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.607 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.3 t60 . . . . . 0 C--O 1.226 -0.166 0 N-CA-C 111.445 0.165 . . . . 0.0 111.445 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.5 tp -48.27 -39.5 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -57.96 -23.42 53.7 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 26' ' ' HIS . 20.8 m -57.47 -38.1 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.128 0.422 . . . . 0.0 110.286 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 179.319 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.522 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 6.0 p . . . . . 0 N--CA 1.438 -1.061 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.98 134.82 57.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.276 0.56 . . . . 0.0 110.693 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -70.94 -37.67 72.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.263 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 mm -79.71 -52.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.252 -176.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -99.23 -123.61 0.15 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.889 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -157.64 35.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.049 0.452 . . . . 0.0 110.199 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 m -82.34 121.59 26.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 175.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.05 138.61 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -131.75 141.64 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 110.961 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -61.03 -36.72 80.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.876 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.448 -0.571 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.524 -173.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.596 ' O ' HG22 ' A' ' 29' ' ' VAL . 76.4 t60 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.35 -39.17 45.59 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -166.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -52.94 -28.95 25.97 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 26' ' ' HIS . 23.2 m -57.31 -36.3 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 93.6 m-70 . . . . . 0 C--N 1.329 -0.283 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.4 p . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.9 t -58.03 136.51 57.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.21 0.528 . . . . 0.0 110.95 -176.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -70.98 -37.32 72.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.794 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.18 -51.78 15.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.579 -176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.33 -124.63 0.16 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.797 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 mt -158.1 36.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.163 0.506 . . . . 0.0 110.391 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 m -82.77 122.51 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.995 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -85.15 138.34 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 0.0 110.977 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -136.2 151.57 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 p -63.72 -41.24 98.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.289 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 p . . . . . 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.464 -168.236 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.687 ' O ' HG22 ' A' ' 29' ' ' VAL . 73.8 t60 . . . . . 0 C--O 1.221 -0.399 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -49.17 -39.49 29.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -168.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -60.13 -22.98 63.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.7 m -57.57 -36.12 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 118.655 0.662 . . . . 0.0 110.941 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 . . . . . 0 C--N 1.319 -0.737 0 CA-C-O 121.297 0.57 . . . . 0.0 109.614 179.819 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 5.2 p . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.46 135.74 57.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.74 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -76.33 -30.93 57.86 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.233 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.413 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 mm -79.49 -54.31 11.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.509 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.6 -124.85 0.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.306 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 mt -157.52 36.92 0.27 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.212 0.529 . . . . 0.0 109.82 175.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 m -80.32 123.26 27.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.783 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.95 140.49 29.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -136.82 151.09 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 p -66.8 -38.23 86.1 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.223 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.0 p . . . . . 0 C--N 1.323 -0.575 0 O-C-N 121.894 -0.504 . . . . 0.0 111.567 -169.562 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 68.6 t60 . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 111.779 0.288 . . . . 0.0 111.779 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -51.47 -36.42 44.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.055 -167.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -54.57 -31.52 56.89 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 26' ' ' HIS . 21.4 m -54.16 -35.78 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 120.954 0.407 . . . . 0.0 111.625 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 95.6 m-70 . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.516 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.6 p . . . . . 0 N--CA 1.44 -0.961 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -58.61 134.99 57.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.03 -40.56 82.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.332 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.3 -54.33 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.456 -172.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -94.65 -123.92 0.1 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.124 -0.631 . . . . 0.0 109.49 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 mt -159.01 35.32 0.21 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.085 0.469 . . . . 0.0 110.197 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 36.4 m -82.32 122.69 28.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.541 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.15 139.86 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.468 0.175 . . . . 0.0 110.688 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 24.7 m-85 -137.7 140.57 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.0 p -62.44 -43.84 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.631 . . . . 0.0 111.965 178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 p . . . . . 0 C--N 1.317 -0.825 0 O-C-N 121.948 -0.47 . . . . 0.0 110.839 -177.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 29' ' ' VAL . 64.1 t60 . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 120.518 0.199 . . . . 0.0 111.501 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -49.05 -33.65 11.83 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -51.16 -31.22 19.17 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.0 m -61.17 -39.04 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.442 -179.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.7 p . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.95 135.74 57.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.297 0.57 . . . . 0.0 111.191 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -72.72 -36.17 67.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.466 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.423 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.1 mm -79.64 -52.7 14.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.267 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.3 p -96.82 -125.27 0.13 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 171.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 54.7 mt -160.27 36.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 110.033 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.437 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.4 m -82.66 123.3 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.81 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.34 135.27 33.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 0.0 110.515 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.437 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 17.4 m-85 -124.7 148.71 47.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.89 0.376 . . . . 0.0 110.555 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 64.0 p -58.36 -36.31 73.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.989 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.0 p . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -172.846 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.558 ' O ' HG22 ' A' ' 29' ' ' VAL . 73.8 t60 . . . . . 0 C--O 1.225 -0.236 0 CA-C-O 120.439 0.162 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.06 -38.14 36.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.404 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.11 -30.26 67.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 26' ' ' HIS . 17.3 m -51.5 -31.91 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.747 0.308 . . . . 0.0 111.44 -175.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 97.2 m-70 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.717 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p . . . . . 0 N--CA 1.449 -0.512 0 CA-C-O 121.108 0.48 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -63.72 136.91 57.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.057 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -70.49 -35.96 73.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.4 mm -81.6 -54.98 8.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.745 -174.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.07 -125.13 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -159.57 34.18 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.342 0.591 . . . . 0.0 109.906 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -80.07 120.28 24.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.55 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.92 127.82 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -112.24 148.63 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 110.982 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.9 p -62.03 -46.39 89.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.744 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -178.516 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 29' ' ' VAL . 71.8 t60 . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.7 tp -48.64 -40.24 27.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.52 -165.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -56.34 -26.79 53.78 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 26' ' ' HIS . 28.1 m -54.83 -37.26 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 118.047 0.385 . . . . 0.0 111.369 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 95.1 m-70 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.835 -177.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.96 137.11 51.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.486 0.66 . . . . 0.0 111.159 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -69.1 -37.74 78.57 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.341 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.8 mm -85.33 -55.6 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.03 -174.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.31 -123.92 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.641 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.7 mt -158.22 33.87 0.24 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.401 . . . . 0.0 109.958 175.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 m -82.83 124.76 30.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 174.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.38 138.96 30.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.608 0.242 . . . . 0.0 111.292 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.79 143.83 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.5 p -56.95 -35.66 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.597 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.32 -0.7 0 O-C-N 122.013 -0.429 . . . . 0.0 111.127 -175.476 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 29' ' ' VAL . 64.8 t60 . . . . . 0 CA--C 1.532 0.255 0 CA-C-O 120.592 0.234 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 tp -48.8 -38.22 21.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.87 . . . . 0.0 113.114 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -53.72 -32.41 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 26' ' ' HIS . 21.9 m -53.75 -35.62 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.941 0.4 . . . . 0.0 111.602 -177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 96.4 m-70 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.067 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.2 p . . . . . 0 C--O 1.238 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.45 133.83 56.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.002 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -69.55 -35.41 75.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.12 -55.18 10.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.557 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.39 -124.14 0.11 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.0 mt -160.44 40.61 0.17 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.947 0.499 . . . . 0.0 109.839 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.441 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 30.3 m -87.43 125.1 34.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.041 176.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.74 138.99 30.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.504 -0.123 . . . . 0.0 110.738 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 26.2 m-85 -135.69 148.62 48.97 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 p -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--N 1.321 -0.657 0 O-C-N 121.682 -0.636 . . . . 0.0 111.529 -173.509 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 29' ' ' VAL . 69.0 t60 . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.36 -32.46 17.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -170.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -52.61 -36.45 56.35 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -175.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 26' ' ' HIS . 34.9 m -55.63 -39.68 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -177.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.941 0.401 . . . . 0.0 110.422 -176.149 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.741 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.2 p . . . . . 0 N--CA 1.448 -0.545 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.96 131.45 47.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.49 0.662 . . . . 0.0 110.657 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -68.17 -30.16 69.2 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.048 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -84.21 -54.36 9.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.89 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.78 -124.78 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.77 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.6 mt -155.05 37.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 0.0 110.55 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.5 m -87.35 121.38 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.03 135.4 33.57 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.948 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -127.46 155.71 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 36.4 p -73.19 -44.79 59.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.199 0.523 . . . . 0.0 111.602 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.319 -0.718 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.627 -176.205 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.524 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.7 t60 . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 120.605 0.241 . . . . 0.0 111.524 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.0 tp -49.74 -37.81 31.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -53.71 -30.68 44.99 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 26' ' ' HIS . 22.9 m -56.62 -34.74 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.588 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 . . . . . 0 C--O 1.235 0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -177.052 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.811 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.1 p . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -57.26 132.46 53.1 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.62 0.724 . . . . 0.0 111.182 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -67.91 -37.48 81.76 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.945 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -81.73 -51.85 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.504 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.88 -124.11 0.16 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.44 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -157.39 37.94 0.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.781 0.324 . . . . 0.0 110.933 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.47 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 18.1 m -90.08 121.22 31.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.48 129.31 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.22 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.47 ' HE1' ' HB2' ' A' ' 15' ' ' SER . 5.6 m-85 -120.2 151.51 39.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 48.4 p -67.28 -45.51 76.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.918 0.39 . . . . 0.0 111.813 -177.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p . . . . . 0 C--N 1.317 -0.839 0 O-C-N 121.889 -0.507 . . . . 0.0 111.45 -176.799 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 29' ' ' VAL . 59.8 t60 . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.42 -33.1 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.951 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -53.43 -29.04 33.27 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 26' ' ' HIS . 21.7 m -59.08 -39.85 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.356 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.331 177.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t -174.81 -42.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.661 0.267 . . . . 0.0 110.667 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 t -162.38 -152.93 0.25 Allowed 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.17 52.72 50.13 Favored Glycine 0 CA--C 1.52 0.387 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.328 176.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' HG2' ' HD2' ' A' ' 7' ' ' PRO . 37.3 ttmt -151.16 158.92 44.6 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -177.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 30.0 tpt180 -75.12 -31.69 1.15 Allowed Pre-proline 0 CA--C 1.556 1.182 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -168.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.539 ' HD2' ' HG2' ' A' ' 5' ' ' LYS . 93.5 Cg_endo -72.29 28.17 0.26 Allowed 'Trans proline' 0 N--CA 1.483 0.877 0 C-N-CA 122.318 2.012 . . . . 0.0 113.914 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.742 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.6 m-30 -94.29 53.18 1.68 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.377 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.27 142.73 13.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.3 t -56.42 137.55 52.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.657 0.741 . . . . 0.0 111.552 -176.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HG3' HG12 ' A' ' 12' ' ' ILE . 17.0 ptm180 -65.77 -36.69 84.27 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.286 -1.324 . . . . 0.0 111.24 176.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 43.1 mm -88.81 -55.81 5.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.992 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -95.16 -128.52 0.14 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.038 -0.665 . . . . 0.0 109.876 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.9 mt -153.66 36.17 0.45 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.232 0.539 . . . . 0.0 109.926 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 m -83.35 122.35 28.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.338 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.39 135.67 33.54 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.167 -0.213 . . . . 0.0 110.556 178.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.742 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 19.3 m-85 -125.0 149.93 47.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.575 0.226 . . . . 0.0 110.434 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 p -64.69 -45.94 84.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.962 0.411 . . . . 0.0 111.689 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.1 p -119.16 148.04 43.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.838 0.352 . . . . 0.0 111.236 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.91 -37.44 63.79 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.579 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.92 80.2 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.26 -176.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 75.6 m-20 -63.6 -43.24 97.51 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.786 -0.365 . . . . 0.0 111.123 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -62.38 -39.78 94.31 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.484 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.47 -50.66 73.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.918 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.52 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 38.2 ptt180 -66.65 -35.97 81.43 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.95 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 29' ' ' VAL . 60.6 t60 -57.4 -41.63 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.338 177.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 48.9 tp -48.44 -37.69 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.944 -170.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.0 pttp -53.27 -32.05 46.71 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -176.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.515 ' HB ' ' HA ' ' A' ' 34' ' ' LEU . 18.6 m -56.15 -35.28 41.5 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-O 120.614 0.245 . . . . 0.0 111.429 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.499 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 94.4 m-70 -77.74 42.2 0.37 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -176.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 30' ' ' HIS . 8.8 t 175.94 -45.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.394 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -72.24 -66.84 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.797 0.332 . . . . 0.0 110.985 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 90.6 m -163.15 136.77 5.86 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HA ' ' HB ' ' A' ' 29' ' ' VAL . 92.5 mt -76.08 132.08 39.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 121.17 0.509 . . . . 0.0 110.118 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.2 t . . . . . 0 C--O 1.249 1.061 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.34 -177.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.88 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -65.85 -41.46 91.65 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 111.549 0.204 . . . . 0.0 111.549 -178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.8 p -67.18 127.01 31.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.871 0.367 . . . . 0.0 110.53 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' H ' HG22 ' A' ' 19' ' ' THR . . . 68.76 114.09 0.02 OUTLIER Glycine 0 CA--C 1.521 0.448 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.593 -177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 55.5 tptt -173.3 133.71 0.51 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -174.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.693 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 42.9 mmt-85 -75.48 -37.7 2.48 Favored Pre-proline 0 N--CA 1.474 0.756 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 -169.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.693 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 36.3 Cg_endo -60.1 4.3 0.19 Allowed 'Trans proline' 0 N--CA 1.483 0.897 0 C-N-CA 123.208 2.605 . . . . 0.0 115.009 -176.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.778 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.0 m-30 -79.49 50.17 1.09 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.932 0.396 . . . . 0.0 110.608 179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.702 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.3 p -77.57 140.07 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.36 133.13 55.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.505 0.669 . . . . 0.0 110.759 -176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.9 ptp85 -68.03 -35.96 79.13 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.633 -1.167 . . . . 0.0 111.135 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mm -80.78 -52.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.235 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.2 p -101.7 -123.38 0.18 Allowed 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 120.152 -0.619 . . . . 0.0 109.908 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.4 mt -157.26 36.2 0.28 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.899 0.38 . . . . 0.0 110.592 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.3 m -85.99 119.42 26.28 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.702 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -92.62 134.78 34.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.087 -0.383 . . . . 0.0 110.74 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.778 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 8.8 m-85 -128.24 150.56 49.98 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.495 ' HB ' ' HA2' ' A' ' 4' ' ' GLY . 29.4 p -65.66 -45.75 81.77 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.844 0.354 . . . . 0.0 111.919 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 4' ' ' GLY . 78.4 p -112.91 147.95 35.98 Favored 'General case' 0 C--N 1.317 -0.821 0 O-C-N 122.041 -0.412 . . . . 0.0 111.317 -176.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 63.2 mttp -54.83 -37.59 66.35 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.149 173.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.75 79.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.141 -176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -66.31 -41.63 89.44 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.03 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.3 t -62.64 -40.49 97.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.907 0.384 . . . . 0.0 110.355 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.48 89.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.808 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 39.5 ptt180 -68.3 -35.77 78.34 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.828 0.346 . . . . 0.0 110.353 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 29' ' ' VAL . 66.4 t60 -58.05 -42.33 85.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.46 176.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.43 -35.97 20.93 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -170.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -52.39 -32.93 41.16 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -176.326 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 26' ' ' HIS . 26.5 m -56.0 -37.96 50.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.665 0.269 . . . . 0.0 111.222 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -82.25 25.94 0.57 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.1 t -176.39 31.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.524 0.678 . . . . 0.0 110.195 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -179.29 130.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.878 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.6 p -78.52 132.74 37.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.453 HD21 HG12 ' A' ' 29' ' ' VAL . 96.7 mt -77.56 128.65 34.51 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.22 0.533 . . . . 0.0 110.228 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 C--N 1.314 -0.963 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.96 179.748 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.793 -0.523 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 p -63.2 -45.96 89.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 110.811 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.467 ' HA ' ' CG2' ' A' ' 19' ' ' THR . 70.0 m -164.22 125.44 2.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.82 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -130.13 1.05 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.774 176.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.541 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -72.04 -145.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 172.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 76.8 ttt180 -159.07 65.74 2.85 Favored Pre-proline 0 C--N 1.311 -1.068 0 CA-C-O 121.369 0.604 . . . . 0.0 111.279 -177.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.468 ' HD3' ' HG3' ' A' ' 5' ' ' LYS . 1.5 Cg_endo -86.12 -31.47 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.853 3.036 . . . . 0.0 112.789 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -76.97 134.72 38.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.634 -1.166 . . . . 0.0 111.788 -165.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.9 p -130.92 139.1 51.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.0 t -61.82 133.5 55.56 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.354 0.597 . . . . 0.0 111.293 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -68.95 -36.86 78.41 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 115.044 -0.98 . . . . 0.0 111.499 -179.429 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.7 mm -79.73 -52.02 15.48 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.441 -174.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 p -96.24 -124.38 0.12 Allowed 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 mt -159.96 37.46 0.18 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.493 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.6 m -82.29 123.0 28.66 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.045 176.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -86.42 130.87 34.35 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.208 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' HD2' ' HB3' ' A' ' 22' ' ' ASN . 17.6 m-85 -120.45 143.8 48.31 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.014 0.435 . . . . 0.0 110.979 177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 41.7 p -59.34 -36.14 75.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.6 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 3' ' ' SER . 77.0 p -138.62 152.12 47.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.05 -175.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -56.54 -33.81 66.45 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.988 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.23 -42.59 81.69 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 80.1 m-20 -68.09 -41.66 81.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.661 175.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.9 t -61.74 -40.88 96.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.37 89.34 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 40.7 ptt180 -65.98 -32.61 74.2 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.361 0.6 . . . . 0.0 109.876 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.625 ' O ' HG22 ' A' ' 29' ' ' VAL . 75.0 t60 -65.09 -45.77 83.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.028 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.0 tp -48.9 -37.63 20.33 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -167.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.7 ptmt -53.82 -31.57 49.69 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 26' ' ' HIS . 26.7 m -54.71 -37.41 39.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.742 0.306 . . . . 0.0 111.427 -177.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.2 m-70 -79.82 25.12 0.36 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.597 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -179.95 34.97 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.388 0.613 . . . . 0.0 110.848 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -169.0 149.79 4.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.6 p -77.4 135.95 38.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.019 0.438 . . . . 0.0 111.907 -174.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.607 HD21 HG12 ' A' ' 29' ' ' VAL . 92.6 mt -79.67 43.62 0.58 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.189 178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.5 t . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.903 -1.046 . . . . 0.0 109.515 -179.015 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.939 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -70.17 136.81 50.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.544 0.212 . . . . 0.0 111.003 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.575 ' HB3' ' HA ' ' A' ' 19' ' ' THR . 51.6 m 61.51 -139.93 0.5 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.457 -176.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.18 -45.37 1.16 Allowed Glycine 0 CA--C 1.524 0.598 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.7 -176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.568 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 36.6 ttmt -64.78 137.57 57.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 176.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 80.5 mtm180 -106.34 39.69 0.08 OUTLIER Pre-proline 0 CA--C 1.547 0.855 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.735 ' HD2' ' CD1' ' A' ' 8' ' ' PHE . 71.7 Cg_endo -90.24 12.62 2.45 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 121.766 1.644 . . . . 0.0 110.348 171.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.735 ' CD1' ' HD2' ' A' ' 7' ' ' PRO . 4.6 m-30 -80.15 52.45 1.55 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.511 -1.222 . . . . 0.0 111.011 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.585 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p -76.72 140.3 17.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.193 0.52 . . . . 0.0 109.962 -177.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -63.35 133.53 54.24 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.864 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.0 mtp85 -68.13 -36.43 79.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.493 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -78.31 -49.86 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.9 -172.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.5 p -102.82 -122.53 0.19 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 173.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.2 mt -159.54 34.92 0.19 Allowed 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.932 0.493 . . . . 0.0 109.934 174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.406 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 22.7 m -82.88 124.01 29.93 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.681 174.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.585 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.65 133.74 36.67 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.554 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 13.0 m-85 -124.02 151.97 43.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.968 0.413 . . . . 0.0 110.738 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.528 ' HA ' ' HG2' ' A' ' 6' ' ' ARG . 44.7 p -65.76 -38.18 88.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.975 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.575 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 67.6 p -132.1 149.57 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.538 -171.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -54.09 -36.89 63.66 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.26 -46.88 69.41 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.501 -1.227 . . . . 0.0 111.265 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.551 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 68.1 m-20 -65.11 -46.0 82.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.506 176.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.5 t -59.6 -42.5 92.72 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.855 0.36 . . . . 0.0 110.887 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.45 85.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 26' ' ' HIS . 7.0 ppt_? -72.72 -29.29 63.24 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.547 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 65.0 t60 -59.84 -44.84 93.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.779 176.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -48.8 -33.18 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.294 -0.866 . . . . 0.0 113.249 -169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 18.6 ptpt -52.56 -32.13 39.44 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.1 m -58.58 -36.78 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.446 -178.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' HA ' HD13 ' A' ' 34' ' ' LEU . 93.0 m-70 -78.26 43.1 0.44 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.224 -0.298 . . . . 0.0 111.691 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 t -177.93 -45.76 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.765 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.93 -49.96 16.31 Favored 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 91.7 m -161.02 130.35 4.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.516 0.198 . . . . 0.0 110.517 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 30' ' ' HIS . 1.9 pt? -161.08 -42.98 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.063 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.913 -0.565 . . . . 0.0 109.85 -178.882 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.958 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 m -65.72 141.56 58.31 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.283 0.233 . . . . 0.0 110.837 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 t 73.24 134.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.934 0.771 . . . . 0.0 111.132 -178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' H ' HG22 ' A' ' 19' ' ' THR . . . -72.36 -124.78 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 115.1 -0.954 . . . . 0.0 113.107 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -160.46 -170.65 2.86 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.573 0.349 . . . . 0.0 110.451 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.654 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 19.0 mmt85 -77.24 -34.44 1.2 Allowed Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 -170.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 58.5 Cg_endo -65.87 13.03 0.12 Allowed 'Trans proline' 0 N--CA 1.483 0.892 0 C-N-CA 122.775 2.316 . . . . 0.0 114.76 -175.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.772 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.1 m-30 -85.02 48.31 1.54 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.718 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.3 p -77.2 138.4 20.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.27 136.57 57.37 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.273 -176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 mtt-85 -71.82 -40.23 69.25 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.697 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 44.8 mm -79.26 -51.25 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.343 -173.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.401 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.4 p -96.42 -124.89 0.13 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.676 -0.81 . . . . 0.0 108.85 171.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 56.8 mt -160.09 39.66 0.18 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.234 0.54 . . . . 0.0 110.124 175.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.431 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 20.4 m -88.64 121.12 30.68 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.904 174.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.718 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.09 133.23 34.03 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.83 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.772 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 18.4 m-85 -124.01 144.75 49.64 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -66.47 -52.64 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.21 0.528 . . . . 0.0 112.236 -176.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' H ' ' A' ' 4' ' ' GLY . 81.9 p -101.95 151.6 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -55.04 -39.46 69.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.25 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.57 -41.28 76.65 Favored 'General case' 0 N--CA 1.433 -1.278 0 CA-C-N 114.074 -1.421 . . . . 0.0 111.493 -175.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.544 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 83.3 m-20 -64.08 -43.06 96.57 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.766 -0.373 . . . . 0.0 110.852 177.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.37 -41.68 98.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.855 0.36 . . . . 0.0 110.581 178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.3 -47.88 83.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.086 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 36.6 ptt180 -67.23 -37.05 82.92 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.079 0.466 . . . . 0.0 110.532 178.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.7 t60 -59.89 -44.58 94.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.664 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -50.73 -36.77 38.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 -169.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 15.0 ptmm? -54.06 -30.58 48.6 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -174.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 26' ' ' HIS . 30.5 m -58.0 -36.59 57.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.637 -178.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.74 ' HA ' HD13 ' A' ' 34' ' ' LEU . 94.3 m-70 -77.16 47.56 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.23 0.538 . . . . 0.0 111.727 -177.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.9 t 179.06 -39.86 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.767 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -71.23 -59.89 2.53 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.562 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 89.7 m -161.89 129.04 3.89 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 30' ' ' HIS . 1.8 pt? -151.78 54.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.357 0.599 . . . . 0.0 111.228 -173.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 p . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.612 -0.709 . . . . 0.0 109.978 178.905 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 112.653 -0.179 . . . . 0.0 112.653 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.2 p -76.25 52.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.518 0.327 . . . . 0.0 110.678 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 m 71.81 139.71 0.05 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.39 -172.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.573 ' H ' HG22 ' A' ' 19' ' ' THR . . . -67.94 -129.25 0.03 OUTLIER Glycine 0 CA--C 1.521 0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 114.133 -172.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 81.7 tttt -162.0 168.36 22.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -175.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 20.4 tpp180 -75.19 -24.21 0.52 Allowed Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -169.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 44.5 Cg_endo -62.86 -1.36 2.67 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 122.404 2.069 . . . . 0.0 114.449 -178.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.715 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.3 m-30 -77.8 52.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 122.435 0.294 . . . . 0.0 110.852 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.78 140.7 16.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.958 0.409 . . . . 0.0 110.04 -176.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -59.02 135.39 57.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.398 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -68.22 -38.62 82.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.243 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mm -79.24 -51.83 16.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.409 -173.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.2 -121.87 0.16 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.18 -0.608 . . . . 0.0 109.861 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.6 mt -159.84 34.03 0.18 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.96 0.504 . . . . 0.0 110.422 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.495 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 28.8 m -83.51 124.92 31.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.943 175.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -90.29 132.9 35.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.868 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.715 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 21.8 m-85 -128.19 146.19 50.8 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.6 p -67.65 -58.39 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.912 0.387 . . . . 0.0 111.914 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.573 HG22 ' H ' ' A' ' 4' ' ' GLY . 81.2 p -96.82 151.57 19.53 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.319 -0.238 . . . . 0.0 111.29 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -55.95 -36.23 67.57 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.22 171.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.66 82.93 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.127 -0.942 . . . . 0.0 111.215 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.524 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 82.1 m-20 -64.59 -43.24 94.47 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.599 176.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.76 -40.11 93.98 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.331 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.11 77.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.891 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.557 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.4 ptt180 -67.23 -30.55 70.49 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.93 0.395 . . . . 0.0 110.044 179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 29' ' ' VAL . 72.4 t60 -66.26 -48.15 71.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.57 177.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.1 tp -48.65 -39.94 26.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.609 -168.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.557 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 14.5 ptmm? -55.92 -25.97 45.59 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -176.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 26' ' ' HIS . 23.6 m -57.49 -36.51 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 122.085 -0.384 . . . . 0.0 111.002 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' O ' HG23 ' A' ' 31' ' ' THR . 91.2 m-70 -77.74 34.3 0.18 Allowed 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 30' ' ' HIS . 10.3 p -162.28 -45.11 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 O-C-N 123.806 0.691 . . . . 0.0 109.741 178.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -74.65 -59.22 2.83 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.959 0.409 . . . . 0.0 111.162 176.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.8 t -163.42 133.62 4.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.994 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.8 pt? -144.09 44.93 1.45 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.721 0.772 . . . . 0.0 109.678 -178.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.1 m . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.524 177.496 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 CA-C-O 120.193 -0.226 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -57.15 128.37 36.64 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.807 0.303 . . . . 0.0 110.798 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -174.35 136.35 0.47 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.672 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.77 -56.48 0.72 Allowed Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.974 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -71.79 148.88 45.84 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.8 0.3 . . . . 0.0 110.307 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HG2' HG22 ' A' ' 18' ' ' THR . 96.0 mtt180 -98.78 33.19 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.894 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 -171.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -81.84 4.57 6.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 CA-C-N 122.821 2.043 . . . . 0.0 110.435 172.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.644 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.4 m-30 -77.38 129.75 36.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.936 -1.029 . . . . 0.0 108.428 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 p -145.57 138.6 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.853 0 CA-C-O 121.192 0.52 . . . . 0.0 110.64 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.24 133.99 56.6 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.206 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -74.06 -32.56 63.34 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.992 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.438 HG21 ' CG ' ' A' ' 30' ' ' HIS . 41.2 mm -78.1 -50.45 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.978 -177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.3 p -104.52 -123.92 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 120.206 -0.597 . . . . 0.0 109.59 172.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.3 mt -160.02 39.48 0.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.294 0.568 . . . . 0.0 110.145 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.7 m -86.8 125.47 33.97 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.827 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 8' ' ' PHE . . . -89.59 138.78 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.584 -0.154 . . . . 0.0 110.584 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 36.7 m-85 -134.33 147.82 50.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.642 0.258 . . . . 0.0 110.481 178.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.483 HG22 ' HG2' ' A' ' 6' ' ' ARG . 33.1 p -60.46 -44.25 96.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.283 0.563 . . . . 0.0 111.6 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.6 p -119.4 146.62 45.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.29 -171.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 68.7 mttm -56.37 -33.72 65.96 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.346 171.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.11 84.68 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.035 -1.439 . . . . 0.0 111.17 -177.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.47 ' HB3' ' CD2' ' A' ' 17' ' ' PHE . 57.7 m-80 -63.74 -44.24 94.12 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.087 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.0 t -58.16 -39.7 79.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.404 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.83 75.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.789 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.603 ' HD2' ' N ' ' A' ' 26' ' ' HIS . 7.1 ppt_? -71.87 -32.5 67.52 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 121.111 -0.236 . . . . 0.0 111.556 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.603 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 69.6 t60 -58.41 -41.88 85.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 175.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.0 tp -51.07 -36.67 41.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.4 ptmt -53.31 -34.89 59.23 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -175.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 26' ' ' HIS . 24.3 m -54.13 -36.41 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.096 -176.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CG ' HG21 ' A' ' 12' ' ' ILE . 93.4 m-70 -81.14 23.26 0.59 Allowed 'General case' 0 C--O 1.234 0.268 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.5 t -176.09 32.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.386 0.612 . . . . 0.0 110.336 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -170.92 132.6 0.87 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.079 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.4 m -78.41 131.61 37.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 34' ' ' LEU . 6.2 mp -77.99 -50.31 12.38 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 121.106 -0.238 . . . . 0.0 111.182 -175.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.184 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.025 -0.43 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -168.78 135.67 1.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 p -165.8 136.3 3.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.334 -177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.52 137.88 37.9 Favored Glycine 0 N--CA 1.45 -0.375 0 O-C-N 123.782 0.676 . . . . 0.0 114.032 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 81.2 tttt -163.98 150.7 11.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.587 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 28.7 tpt180 -74.17 -29.4 0.98 Allowed Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 -164.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 95.3 Cg_endo -71.42 24.83 0.23 Allowed 'Trans proline' 0 N--CA 1.483 0.902 0 C-N-CA 122.368 2.045 . . . . 0.0 114.056 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.707 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -91.5 49.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.767 0.318 . . . . 0.0 110.246 178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.8 p -77.59 143.67 12.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.577 -174.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.8 t -59.81 138.9 57.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.852 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -68.13 -43.46 78.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.627 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 45.4 mm -79.61 -50.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.813 -169.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -99.15 -124.54 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 119.783 -0.767 . . . . 0.0 109.246 172.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.5 mt -159.13 36.09 0.21 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.009 0.433 . . . . 0.0 109.871 174.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.4 m -80.84 123.74 28.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.527 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -91.31 135.55 33.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.58 0.229 . . . . 0.0 110.739 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.707 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 8.4 m-85 -129.18 143.52 50.89 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.0 p -63.6 -58.83 5.72 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.827 0.346 . . . . 0.0 111.855 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 p -96.63 152.55 18.54 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 122.088 -0.383 . . . . 0.0 111.705 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -53.38 -38.25 63.19 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.392 169.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.74 -42.39 79.19 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 114.066 -1.425 . . . . 0.0 111.101 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 80.7 m-20 -70.56 -43.95 68.44 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.424 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 42.1 t -63.1 -48.59 77.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.204 -174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.52 88.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 41.3 ptt180 -68.21 -31.48 71.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.819 -178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' O ' HG22 ' A' ' 29' ' ' VAL . 63.0 t60 -56.39 -41.45 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.614 178.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HG22 ' A' ' 31' ' ' THR . 4.2 mm? -47.32 -32.08 4.45 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -174.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -53.64 -36.67 62.31 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.867 ' HB ' HD13 ' A' ' 34' ' ' LEU . 29.8 m -55.16 -40.87 57.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 122.039 -0.413 . . . . 0.0 111.515 -176.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 91.4 m-70 -78.28 -54.26 6.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.931 0.396 . . . . 0.0 111.16 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 27' ' ' LEU . 9.6 t -87.21 42.64 1.05 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.234 0.54 . . . . 0.0 111.941 -177.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.702 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 60.0 t0 -173.25 -98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 t -161.09 151.0 17.25 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.867 HD13 ' HB ' ' A' ' 29' ' ' VAL . 2.2 pt? -157.8 -43.31 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.467 ' H ' HD23 ' A' ' 34' ' ' LEU . 54.3 p . . . . . 0 C--O 1.253 1.267 0 CA-C-O 118.159 -0.924 . . . . 0.0 109.463 176.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 N-CA-C 112.381 -0.287 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -166.22 50.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.683 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 14.3 m -56.19 -52.56 63.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.839 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.512 ' H ' HG22 ' A' ' 19' ' ' THR . . . 51.38 48.66 47.6 Favored Glycine 0 CA--C 1.52 0.359 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.69 175.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.587 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 5.0 ttmp? -145.2 127.02 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 -171.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.686 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 44.7 mmm-85 -78.27 -31.48 0.78 Allowed Pre-proline 0 N--CA 1.475 0.818 0 N-CA-C 116.549 2.055 . . . . 0.0 116.549 -167.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.686 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 52.0 Cg_endo -63.24 17.33 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 123.006 2.471 . . . . 0.0 114.177 -176.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.707 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.3 m-30 -86.01 49.5 1.79 Allowed 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 176.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.589 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.1 p -77.7 136.76 23.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -175.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.6 t -64.6 131.75 47.88 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.758 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -70.42 -32.9 70.69 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.43 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -77.06 -48.52 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.68 -175.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -104.07 -121.97 0.2 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 120.163 -0.615 . . . . 0.0 109.368 171.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 42.4 mt -160.71 37.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 122.97 0.508 . . . . 0.0 110.25 174.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 m -83.77 125.27 31.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -95.6 131.8 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.776 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.707 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 28.8 m-85 -121.93 149.39 43.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.754 0.311 . . . . 0.0 111.143 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.6 p -69.75 -34.69 74.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' A' ' 3' ' ' SER . 80.9 p -133.92 151.52 51.52 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.811 -172.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -55.51 -34.79 64.94 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.438 175.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.44 77.32 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.168 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.664 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 74.3 m-20 -65.28 -42.69 92.9 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.2 t -62.13 -41.33 98.14 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.878 0.37 . . . . 0.0 110.619 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.92 78.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.163 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -67.72 -35.76 79.36 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.934 0.397 . . . . 0.0 110.79 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' O ' HG22 ' A' ' 29' ' ' VAL . 77.9 t60 -61.72 -47.93 83.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.191 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.7 tp -49.68 -39.07 35.41 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -165.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -55.36 -31.56 61.86 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 26' ' ' HIS . 28.9 m -51.93 -33.57 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.042 0.449 . . . . 0.0 111.731 -175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -79.1 -48.69 13.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.072 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -76.63 -51.67 11.12 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.02 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.95 122.45 36.46 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -79.18 134.52 36.69 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 120.957 0.408 . . . . 0.0 110.523 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 34' ' ' LEU . 5.6 mp -79.0 46.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 -178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.559 -178.841 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -72.54 50.61 0.24 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 p -76.94 52.16 0.84 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.149 176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 19' ' ' THR . . . -53.5 137.31 38.82 Favored Glycine 0 C--N 1.333 0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 113.433 -175.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.616 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 79.6 tttt -101.37 178.8 4.54 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 -179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.616 ' H ' ' HG2' ' A' ' 5' ' ' LYS . 30.9 tpt180 -78.21 -34.86 1.11 Allowed Pre-proline 0 CA--C 1.555 1.148 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -175.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 93.8 Cg_endo -72.19 25.97 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 122.989 2.459 . . . . 0.0 114.481 -175.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.8 m-30 -91.37 49.3 1.59 Allowed 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.619 0.247 . . . . 0.0 110.745 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.9 p -77.85 140.77 16.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 0.0 110.059 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.3 t -61.97 134.58 56.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.637 -177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 70.7 mtp180 -66.97 -39.88 87.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.667 178.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mm -78.33 -48.36 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.19 -171.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 30.7 p -103.67 -122.9 0.2 Allowed 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.609 172.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 55.3 mt -160.38 36.35 0.17 Allowed 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 123.04 0.536 . . . . 0.0 109.772 176.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.479 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 33.0 m -84.21 124.76 31.54 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.824 175.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 138.04 31.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.644 0.259 . . . . 0.0 110.971 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.704 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 28.2 m-85 -136.48 150.51 48.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.641 0.257 . . . . 0.0 110.445 178.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 p -71.81 -63.51 1.12 Allowed 'General case' 0 C--O 1.217 -0.609 0 CA-C-O 120.94 0.4 . . . . 0.0 111.559 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.485 ' HA ' ' HA3' ' A' ' 4' ' ' GLY . 76.3 p -92.05 151.28 20.52 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 122.197 -0.314 . . . . 0.0 111.407 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 98.8 mttt -56.3 -35.81 67.96 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.913 172.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.38 79.35 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 114.529 -1.214 . . . . 0.0 111.195 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 81.0 m-20 -64.45 -43.25 94.86 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.853 177.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.6 t -63.51 -41.07 98.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.427 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.64 80.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.741 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.569 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.2 ptt180 -68.66 -35.01 76.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.744 0.307 . . . . 0.0 110.418 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.607 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.3 t60 -57.45 -43.59 84.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.445 175.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.5 tp -48.27 -39.5 21.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.5 pttp -57.96 -23.42 53.7 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -176.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 26' ' ' HIS . 20.8 m -57.47 -38.1 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 118.128 0.422 . . . . 0.0 110.286 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -79.65 25.17 0.35 Allowed 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 t -173.75 35.01 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.284 1.04 . . . . 0.0 109.555 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -168.13 -50.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.64 -1.164 . . . . 0.0 109.901 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 m -90.24 50.49 1.86 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.541 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.5 mt -152.64 141.08 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.934 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.026 -0.988 . . . . 0.0 108.66 -178.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -177.56 -126.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.785 ' HA ' HG22 ' A' ' 19' ' ' THR . 49.3 m 68.11 127.91 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.898 0.879 . . . . 0.0 111.787 179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.03 -132.11 2.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.449 -0.881 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.705 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 40.0 ttmt -58.54 149.9 24.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.293 -0.453 . . . . 0.0 110.777 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' ' 6' ' ' ARG . 51.7 ttp85 -105.8 59.67 0.15 Allowed Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -177.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.705 ' HD3' ' C ' ' A' ' 5' ' ' LYS . 2.7 Cg_endo -82.44 -2.64 11.15 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 121.806 1.671 . . . . 0.0 110.091 173.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 13.1 m-30 -77.38 134.87 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.33 -169.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 6.0 p -145.37 141.24 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 176.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.1 t -60.98 134.82 57.48 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.276 0.56 . . . . 0.0 110.693 -174.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -70.94 -37.67 72.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.263 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 42.8 mm -79.71 -52.62 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.252 -176.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -99.23 -123.61 0.15 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 120.061 -0.655 . . . . 0.0 109.889 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -157.64 35.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.049 0.452 . . . . 0.0 110.199 177.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.8 m -82.34 121.59 26.89 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.661 175.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.05 138.61 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' HD2' ' HB3' ' A' ' 22' ' ' ASN . 38.7 m-85 -131.75 141.64 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.033 0.444 . . . . 0.0 110.961 178.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.496 ' CG2' ' HD3' ' A' ' 6' ' ' ARG . 39.9 p -61.03 -36.72 80.3 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.876 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 3' ' ' SER . 59.5 p -133.91 150.41 51.32 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.524 -173.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB3' ' NZ ' ' A' ' 20' ' ' LYS . 1.2 mmmp? -56.51 -33.68 66.26 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.67 -43.78 65.78 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.597 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.545 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 75.9 m-20 -70.18 -42.17 72.78 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 111.084 177.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.8 t -64.58 -37.87 89.07 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.665 -177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.75 -46.46 81.4 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.624 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.3 ptt180 -68.79 -34.12 75.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.986 0.422 . . . . 0.0 110.547 178.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.596 ' O ' HG22 ' A' ' 29' ' ' VAL . 76.4 t60 -62.79 -46.06 89.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.139 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.35 -39.17 45.59 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -166.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.3 pttp -52.94 -28.95 25.97 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 -176.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.769 ' HB ' ' HA ' ' A' ' 34' ' ' LEU . 23.2 m -57.31 -36.3 52.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 93.6 m-70 -79.7 42.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.4 t -175.3 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -83.28 -145.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 172.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.0 p -79.83 139.84 37.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.769 ' HA ' ' HB ' ' A' ' 29' ' ' VAL . 5.9 mp -77.92 47.1 0.62 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -174.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.79 -0.624 . . . . 0.0 109.634 177.234 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 112.396 -0.282 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -76.22 -134.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.483 0.313 . . . . 0.0 110.22 176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -71.47 124.32 24.36 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.17 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.91 -139.65 5.28 Favored Glycine 0 CA--C 1.516 0.123 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.263 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.651 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 6.4 ptpp? -78.09 -173.43 3.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 169.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -115.08 63.58 1.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.651 ' HD3' ' C ' ' A' ' 5' ' ' LYS . 5.5 Cg_endo -83.13 -27.98 1.7 Allowed 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.109 2.54 . . . . 0.0 112.085 176.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -75.62 130.58 38.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.631 -170.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.4 p -128.94 139.09 52.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 177.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.9 t -58.03 136.51 57.15 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.21 0.528 . . . . 0.0 110.95 -176.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -70.98 -37.32 72.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.794 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.0 mm -80.18 -51.78 15.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.579 -176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -99.33 -124.63 0.16 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 120.121 -0.632 . . . . 0.0 109.797 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 mt -158.1 36.48 0.25 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.163 0.506 . . . . 0.0 110.391 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 m -82.77 122.51 28.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.995 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -85.15 138.34 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.745 0.307 . . . . 0.0 110.977 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.653 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 27.9 m-85 -136.2 151.57 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 34.4 p -63.72 -41.24 98.1 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.289 -179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 76.6 p -135.53 156.29 49.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.464 -168.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.22 -29.21 65.52 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.23 -0.896 . . . . 0.0 109.078 171.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.56 -49.23 75.44 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.098 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -68.52 -41.03 80.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.962 176.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 53.3 t -61.13 -39.06 88.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.491 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.96 -48.86 80.01 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.936 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 39.3 ptt180 -64.86 -36.88 85.77 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.657 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.687 ' O ' HG22 ' A' ' 29' ' ' VAL . 73.8 t60 -62.85 -46.83 86.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.834 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 43.0 tp -49.17 -39.49 29.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -168.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 22.8 pttp -60.13 -22.98 63.5 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.687 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.7 m -57.57 -36.12 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 118.655 0.662 . . . . 0.0 110.941 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.701 ' HA ' HD12 ' A' ' 34' ' ' LEU . 93.6 m-70 -75.45 -45.64 37.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.297 0.57 . . . . 0.0 109.614 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -85.92 40.34 0.85 Allowed 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.993 177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -171.17 -69.02 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.471 HG22 ' HA ' ' A' ' 29' ' ' VAL . 9.8 t -84.07 39.2 0.69 Allowed 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 121.347 0.594 . . . . 0.0 111.483 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.701 HD12 ' HA ' ' A' ' 30' ' ' HIS . 76.7 mt -141.27 43.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.4 172.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 55.9 p . . . . . 0 C--N 1.318 -0.765 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.682 178.285 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 p 52.02 41.31 29.69 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.819 0.848 . . . . 0.0 112.806 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.589 ' HA ' HG22 ' A' ' 19' ' ' THR . 59.5 p -77.62 132.88 38.47 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 173.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.04 -129.39 1.91 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 118.859 -1.639 . . . . 0.0 114.938 179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 23.1 pttm -55.49 156.14 4.83 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 124.178 0.991 . . . . 0.0 112.851 -174.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 64.4 ttt-85 -102.76 42.89 0.04 OUTLIER Pre-proline 0 CA--C 1.566 1.558 0 N-CA-C 114.972 1.471 . . . . 0.0 114.972 -172.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD3' ' C ' ' A' ' 5' ' ' LYS . 91.1 Cg_endo -85.55 3.33 7.24 Favored 'Trans proline' 0 C--N 1.362 1.269 0 C-N-CA 121.528 1.485 . . . . 0.0 111.103 173.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.743 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.7 m-30 -77.68 138.23 38.95 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.127 -178.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 5.2 p -149.68 143.26 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 -177.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.46 135.74 57.57 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.74 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -76.33 -30.93 57.86 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.233 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.413 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.7 mm -79.49 -54.31 11.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.509 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -98.6 -124.85 0.15 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 119.934 -0.707 . . . . 0.0 109.306 173.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 mt -157.52 36.92 0.27 Allowed 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.212 0.529 . . . . 0.0 109.82 175.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.6 m -80.32 123.26 27.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.783 174.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.95 140.49 29.38 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.694 0.283 . . . . 0.0 110.949 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.743 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 42.4 m-85 -136.82 151.09 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.794 0.331 . . . . 0.0 110.512 -179.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.0 p -66.8 -38.23 86.1 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.223 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 3' ' ' SER . 63.0 p -133.83 151.2 51.48 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.894 -0.504 . . . . 0.0 111.567 -169.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -54.24 -36.06 63.14 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.782 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.8 68.78 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.56 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -69.42 -42.88 74.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.962 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.7 t -62.92 -41.92 99.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.45 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.688 -177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.539 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.1 ptt180 -66.91 -36.81 83.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.768 0.318 . . . . 0.0 110.66 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 68.6 t60 -57.15 -44.83 83.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.779 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.5 tp -51.47 -36.42 44.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.055 -167.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.1 pttm -54.57 -31.52 56.89 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 -175.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.87 HG12 HD11 ' A' ' 34' ' ' LEU . 21.4 m -54.16 -35.78 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 120.954 0.407 . . . . 0.0 111.625 -177.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 95.6 m-70 -78.92 -48.65 14.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.088 0.47 . . . . 0.0 111.121 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.0 p -71.81 -33.5 68.57 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.683 -173.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -144.22 141.61 29.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.982 0.42 . . . . 0.0 110.167 -172.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.2 m -75.66 131.55 39.99 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 -177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.87 HD11 HG12 ' A' ' 29' ' ' VAL . 83.1 mt -77.75 141.32 39.36 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.084 -173.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.2 t . . . . . 0 C--N 1.312 -1.051 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.631 178.077 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.4 m -65.77 135.14 54.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.644 0.259 . . . . 0.0 110.885 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.587 ' HA ' ' HA ' ' A' ' 19' ' ' THR . 72.5 m 62.57 53.25 2.68 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.463 0.649 . . . . 0.0 111.866 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.89 136.58 2.54 Favored Glycine 0 N--CA 1.453 -0.171 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.11 178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.795 ' C ' ' HD3' ' A' ' 7' ' ' PRO . 4.3 tppp? 69.07 145.97 0.05 Allowed 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -175.322 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.568 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 75.2 ttt180 -104.6 51.79 0.1 OUTLIER Pre-proline 0 CA--C 1.556 1.191 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -172.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.795 ' HD3' ' C ' ' A' ' 5' ' ' LYS . 9.1 Cg_endo -84.91 -13.33 6.76 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.282 1.988 . . . . 0.0 110.6 174.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.7 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 3.2 m-30 -76.21 134.68 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.459 -173.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.516 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.6 p -140.05 141.01 34.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.3 t -58.61 134.99 57.24 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.282 0.563 . . . . 0.0 110.657 -176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -68.03 -40.56 82.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.067 -0.97 . . . . 0.0 110.332 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.3 -54.33 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.456 -172.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -94.65 -123.92 0.1 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.124 -0.631 . . . . 0.0 109.49 173.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.5 mt -159.01 35.32 0.21 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.085 0.469 . . . . 0.0 110.197 176.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 36.4 m -82.32 122.69 28.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.541 174.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.516 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.15 139.86 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.468 0.175 . . . . 0.0 110.688 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.7 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 24.7 m-85 -137.7 140.57 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.568 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 19.0 p -62.44 -43.84 97.85 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.631 . . . . 0.0 111.965 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.587 ' HA ' ' HA ' ' A' ' 3' ' ' SER . 31.3 p -109.06 146.29 34.23 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 121.948 -0.47 . . . . 0.0 110.839 -177.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 98.1 mttt -57.3 -33.67 67.92 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.038 0.923 . . . . 0.0 108.755 168.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.26 -43.75 83.29 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-N 113.397 -1.729 . . . . 0.0 111.632 -176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 82.8 m-20 -66.4 -40.87 89.87 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.434 177.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.9 t -61.0 -39.41 89.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.763 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.25 -49.16 78.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.812 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.1 ptt180 -69.74 -30.96 68.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.042 0.449 . . . . 0.0 110.614 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' O ' HG22 ' A' ' 29' ' ' VAL . 64.1 t60 -59.86 -42.61 94.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.501 176.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.2 tp -49.05 -33.65 11.83 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -170.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 25.3 pttm -51.16 -31.22 19.17 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -175.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 26' ' ' HIS . 33.0 m -61.17 -39.04 81.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.122 -178.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -78.9 44.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.442 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 t -173.92 -46.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.899 -0.137 . . . . 0.0 111.268 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -80.44 -57.53 3.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.141 0.496 . . . . 0.0 110.882 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.1 t -163.17 136.4 5.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.192 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 34' ' ' LEU . 1.9 pt? -135.1 145.06 47.52 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.136 0.493 . . . . 0.0 110.708 -174.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 C--O 1.249 1.076 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.14 -179.178 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 p -70.77 -47.69 58.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.627 0.214 . . . . 0.0 111.321 -179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t 65.58 129.04 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.804 0.69 . . . . 0.0 111.113 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 146.29 7.07 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.672 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.726 ' O ' ' HA ' ' A' ' 18' ' ' THR . 87.0 tttt 66.98 172.36 0.26 Allowed 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 122.61 0.364 . . . . 0.0 110.147 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 57.7 mtt85 -142.17 60.35 10.49 Favored Pre-proline 0 N--CA 1.47 0.572 0 O-C-N 121.803 -0.561 . . . . 0.0 111.514 -178.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 6' ' ' ARG . 5.6 Cg_exo -78.04 -42.31 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.867 2.378 . . . . 0.0 112.499 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 19' ' ' THR . 13.6 m-85 -77.79 126.01 30.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.992 -168.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.511 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 9.7 p -118.56 140.92 40.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 175.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.1 t -60.95 135.74 57.88 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.297 0.57 . . . . 0.0 111.191 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -72.72 -36.17 67.74 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.466 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.423 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 47.1 mm -79.64 -52.7 14.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.267 -175.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 31.3 p -96.82 -125.27 0.13 Allowed 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 171.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 13' ' ' CYS . 54.7 mt -160.27 36.53 0.17 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.224 0.535 . . . . 0.0 110.033 175.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.437 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 34.4 m -82.66 123.3 29.14 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.81 173.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.511 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.34 135.27 33.39 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.677 0.275 . . . . 0.0 110.515 177.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.488 ' HD2' ' HB3' ' A' ' 22' ' ' ASN . 17.4 m-85 -124.7 148.71 47.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.89 0.376 . . . . 0.0 110.555 177.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.726 ' HA ' ' O ' ' A' ' 5' ' ' LYS . 64.0 p -58.36 -36.31 73.29 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.989 -177.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.55 ' HA ' ' CE2' ' A' ' 8' ' ' PHE . 70.0 p -143.13 154.88 44.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.061 -172.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -53.68 -34.19 57.9 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.244 170.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.97 -43.94 73.94 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.852 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.488 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 72.4 m-80 -70.71 -42.73 70.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.316 175.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.98 -39.71 86.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.995 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.5 -49.9 75.98 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 38.8 ptt180 -66.79 -36.44 82.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 110.743 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.558 ' O ' HG22 ' A' ' 29' ' ' VAL . 73.8 t60 -62.91 -47.52 82.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.193 176.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 tp -50.06 -38.14 36.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.404 -166.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 66.0 pttt -59.11 -30.26 67.98 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -176.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 26' ' ' HIS . 17.3 m -51.5 -31.91 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 120.747 0.308 . . . . 0.0 111.44 -175.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 97.2 m-70 -78.6 37.0 0.27 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.717 -178.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.1 t 177.43 -45.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.228 0.611 . . . . 0.0 109.383 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -86.18 123.29 31.3 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 173.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 39.0 p -79.37 136.92 37.12 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.903 0.382 . . . . 0.0 111.736 -175.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -79.38 46.59 0.75 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 173.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.254 1.298 0 CA-C-O 117.693 -1.146 . . . . 0.0 108.458 -177.214 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.919 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.6 p -170.0 -135.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 m -62.72 129.87 42.44 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.528 ' H ' HG22 ' A' ' 19' ' ' THR . . . -74.37 -132.19 0.25 Allowed Glycine 0 CA--C 1.522 0.487 0 C-N-CA 121.12 -0.562 . . . . 0.0 113.499 -176.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 60.2 tttp -165.9 174.48 9.49 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -176.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.572 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 22.2 tpp180 -76.8 -31.94 0.96 Allowed Pre-proline 0 CA--C 1.55 0.976 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -170.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 96.6 Cg_endo -71.52 27.5 0.23 Allowed 'Trans proline' 0 N--CA 1.483 0.894 0 C-N-CA 122.361 2.041 . . . . 0.0 113.272 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.3 m-30 -94.97 44.28 1.1 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.668 177.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p -78.32 143.86 12.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.44 -174.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.4 t -63.72 136.91 57.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.057 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -70.49 -35.96 73.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.4 mm -81.6 -54.98 8.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.745 -174.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.07 -125.13 0.11 Allowed 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 174.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -159.57 34.18 0.19 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.342 0.591 . . . . 0.0 109.906 175.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 m -80.07 120.28 24.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.55 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -93.92 127.82 39.89 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.552 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 5.6 m-85 -112.24 148.63 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.735 0.302 . . . . 0.0 110.982 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.9 p -62.03 -46.39 89.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.744 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.528 HG22 ' H ' ' A' ' 4' ' ' GLY . 80.5 p -117.53 148.72 41.61 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -178.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 98.9 mttt -54.04 -36.15 62.75 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.205 175.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.26 81.57 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.496 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' HB3' ' HD2' ' A' ' 17' ' ' PHE . 80.8 m-20 -67.97 -42.54 80.7 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.068 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 26' ' ' HIS . 45.4 t -61.99 -40.18 94.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.92 0.391 . . . . 0.0 110.572 -178.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.04 87.65 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.068 -179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 41.0 ptt180 -67.3 -33.88 76.22 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.998 0.428 . . . . 0.0 110.232 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.526 ' O ' HG22 ' A' ' 29' ' ' VAL . 71.8 t60 -58.52 -45.25 89.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.159 178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.7 tp -48.64 -40.24 27.05 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.52 -165.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -56.34 -26.79 53.78 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 26' ' ' HIS . 28.1 m -54.83 -37.26 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-N 118.047 0.385 . . . . 0.0 111.369 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 95.1 m-70 -78.44 40.83 0.37 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.835 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 t -178.1 -40.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.161 176.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -72.43 -100.12 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -161.17 136.76 7.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 34' ' ' LEU . 5.8 mp -79.27 -41.43 28.15 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 -176.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.19 -0.909 . . . . 0.0 109.831 -179.466 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 p -157.8 45.63 0.35 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.711 0.767 . . . . 0.0 109.862 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -161.9 134.08 5.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.709 -1.132 . . . . 0.0 108.898 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.523 ' O ' ' HB3' ' A' ' 5' ' ' LYS . . . -177.93 144.15 6.4 Favored Glycine 0 CA--C 1.508 -0.352 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.72 -173.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.696 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 50.6 tptt 73.11 134.74 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -172.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.793 ' HA ' ' HA ' ' A' ' 18' ' ' THR . 38.5 ttm180 -109.76 68.74 0.46 Allowed Pre-proline 0 CA--C 1.54 0.583 0 CA-C-O 120.724 0.297 . . . . 0.0 111.715 -176.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.696 ' HG3' ' HG3' ' A' ' 5' ' ' LYS . 4.7 Cg_exo -77.68 -42.77 0.25 Allowed 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.439 2.092 . . . . 0.0 112.438 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.485 ' CE2' ' HA ' ' A' ' 19' ' ' THR . 30.4 m-85 -79.5 130.31 35.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.399 -167.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.533 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 10.0 p -114.18 142.64 26.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 169.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -55.96 137.11 51.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.486 0.66 . . . . 0.0 111.159 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -69.1 -37.74 78.57 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.573 -1.194 . . . . 0.0 110.341 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.439 ' HB ' ' CD2' ' A' ' 30' ' ' HIS . 46.8 mm -85.33 -55.6 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 120.398 -0.521 . . . . 0.0 112.03 -174.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.5 p -92.31 -123.92 0.08 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 120.148 -0.621 . . . . 0.0 109.641 175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.7 mt -158.22 33.87 0.24 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.941 0.401 . . . . 0.0 109.958 175.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.2 m -82.83 124.76 30.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.609 174.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -88.38 138.96 30.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.608 0.242 . . . . 0.0 111.292 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -134.79 143.83 47.31 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.793 ' HA ' ' HA ' ' A' ' 6' ' ' ARG . 40.5 p -56.95 -35.66 69.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.597 -178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.485 ' HA ' ' CE2' ' A' ' 8' ' ' PHE . 68.8 p -141.19 153.61 45.4 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 122.013 -0.429 . . . . 0.0 111.127 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HA ' ' HB3' ' A' ' 23' ' ' CYS . 58.6 mttm -57.28 -29.79 64.16 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.293 170.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.56 -43.47 75.92 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.34 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.549 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 78.4 m-20 -74.73 -42.71 57.79 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 174.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 20' ' ' LYS . 41.8 t -61.16 -39.85 91.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.7 -175.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.65 93.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.753 -176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 42.1 ptt180 -66.34 -35.21 79.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 29' ' ' VAL . 64.8 t60 -61.2 -45.19 95.62 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.38 174.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.9 tp -48.8 -38.22 21.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.287 -0.87 . . . . 0.0 113.114 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 18.7 ptpt -53.72 -32.41 51.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -174.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 26' ' ' HIS . 21.9 m -53.75 -35.62 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-O 120.941 0.4 . . . . 0.0 111.602 -177.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' HB ' ' A' ' 12' ' ' ILE . 96.4 m-70 -78.56 -49.89 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.301 0.572 . . . . 0.0 111.067 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 57.6 p -74.01 -31.64 63.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.893 -173.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.6 142.26 33.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.404 0.621 . . . . 0.0 111.468 -171.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.7 t -77.13 129.28 35.79 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.545 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.419 HD11 HG12 ' A' ' 29' ' ' VAL . 74.0 mt -87.22 38.76 0.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.999 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 p . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.888 -178.46 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.915 -0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.2 t -62.97 -48.02 80.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.592 0.234 . . . . 0.0 110.914 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -162.07 134.55 5.79 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' H ' HG22 ' A' ' 19' ' ' THR . . . -76.0 -134.07 0.48 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.631 -0.713 . . . . 0.0 113.217 -176.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -173.8 -171.05 0.62 Allowed 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.059 0.544 . . . . 0.0 110.68 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.613 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 12.3 tpt180 -76.94 -36.13 1.53 Allowed Pre-proline 0 CA--C 1.551 1.004 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -169.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 71.3 Cg_endo -68.55 22.82 0.14 Allowed 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.913 2.409 . . . . 0.0 114.461 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.769 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 2.4 m-30 -91.3 50.96 1.83 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.621 0.248 . . . . 0.0 111.438 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.2 p -78.13 139.64 18.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.928 0.394 . . . . 0.0 110.333 -178.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.45 133.83 56.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.002 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -69.55 -35.41 75.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.511 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.12 -55.18 10.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.557 -174.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -95.39 -124.14 0.11 Allowed 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 172.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.0 mt -160.44 40.61 0.17 Allowed 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 122.947 0.499 . . . . 0.0 109.839 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.441 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 30.3 m -87.43 125.1 34.08 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.041 176.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -87.74 138.99 30.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.504 -0.123 . . . . 0.0 110.738 178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.769 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 26.2 m-85 -135.69 148.62 48.97 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 p -68.22 -39.33 82.38 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 4' ' ' GLY . 74.5 p -126.23 153.21 45.03 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.682 -0.636 . . . . 0.0 111.529 -173.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -54.79 -38.0 66.75 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.205 174.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.56 -43.89 76.3 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.332 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 82.3 m-20 -68.45 -41.93 79.56 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.713 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.3 t -63.18 -42.06 99.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.75 -47.31 85.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.75 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.7 ptt180 -65.59 -35.95 82.32 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-O 121.107 0.479 . . . . 0.0 109.884 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.662 ' O ' HG22 ' A' ' 29' ' ' VAL . 69.0 t60 -58.68 -44.14 90.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.727 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.5 tp -50.36 -32.46 17.41 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -170.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 63.1 pttt -52.61 -36.45 56.35 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 26' ' ' HIS . 34.9 m -55.63 -39.68 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -177.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -76.44 -38.09 56.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.941 0.401 . . . . 0.0 110.422 -176.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.415 HG21 HD21 ' A' ' 34' ' ' LEU . 10.6 m -97.58 29.41 3.32 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.157 0.504 . . . . 0.0 109.791 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 65.01 -51.24 0.34 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.951 0.901 . . . . 0.0 113.086 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -161.36 140.28 9.94 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 28' ' ' LYS . 98.7 mt -147.19 -41.75 0.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.539 -176.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 C--O 1.249 1.045 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.327 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -70.04 135.02 48.88 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.616 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 75.9 p -159.67 -143.09 0.1 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.445 ' HA2' ' HB ' ' A' ' 18' ' ' THR . . . 58.75 46.54 93.28 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.015 -176.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.628 ' C ' ' HD2' ' A' ' 7' ' ' PRO . 61.2 tttm -157.13 141.0 16.09 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 -168.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.528 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 25.9 mmm180 -76.0 -14.57 0.23 Allowed Pre-proline 0 CA--C 1.555 1.165 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -164.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.628 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 56.1 Cg_endo -66.67 -2.87 8.26 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 122.444 1.908 . . . . 0.0 113.539 -177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.808 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.5 m-30 -77.18 55.99 1.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.77 0.319 . . . . 0.0 111.021 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.741 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 7.2 p -76.88 139.74 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.96 131.45 47.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.49 0.662 . . . . 0.0 110.657 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -68.17 -30.16 69.2 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.048 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -84.21 -54.36 9.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.89 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 p -100.78 -124.78 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.77 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.6 mt -155.05 37.38 0.4 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.003 0.43 . . . . 0.0 110.55 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.5 m -87.35 121.38 29.72 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 172.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.741 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.03 135.4 33.57 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.948 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.808 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 18.4 m-85 -127.46 155.71 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.445 ' HB ' ' HA2' ' A' ' 4' ' ' GLY . 36.4 p -73.19 -44.79 59.27 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.199 0.523 . . . . 0.0 111.602 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.616 ' HA ' ' HB2' ' A' ' 3' ' ' SER . 69.6 p -116.9 147.67 42.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.627 -176.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 97.5 mttt -56.57 -35.23 67.94 Favored 'General case' 0 CA--C 1.507 -0.71 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.97 173.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.92 -41.62 74.84 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.264 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -65.32 -43.66 90.3 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.769 0.319 . . . . 0.0 110.87 176.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.78 -38.81 86.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.577 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.89 88.39 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.027 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -69.15 -35.57 76.48 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.148 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.524 ' O ' HG22 ' A' ' 29' ' ' VAL . 67.7 t60 -57.64 -42.94 84.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.524 175.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.0 tp -49.74 -37.81 31.05 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -169.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -53.71 -30.68 44.99 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 26' ' ' HIS . 22.9 m -56.62 -34.74 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 120.78 0.324 . . . . 0.0 111.588 -177.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -77.98 42.21 0.38 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 112.008 -177.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 t 179.55 -50.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.838 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -91.86 32.23 1.15 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.722 0.772 . . . . 0.0 110.118 178.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.421 ' O ' HG22 ' A' ' 33' ' ' THR . 30.0 m -161.13 36.65 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 176.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.8 mt -159.62 47.93 0.29 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.655 -1.611 . . . . 0.0 108.292 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 C--O 1.247 0.957 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 -172.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -67.11 127.06 31.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 111.463 -178.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -72.47 -24.08 61.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.423 0.63 . . . . 0.0 110.706 175.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 18' ' ' THR . . . 83.11 127.67 1.22 Allowed Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.402 -174.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 8' ' ' PHE . 50.2 tttm -170.34 145.29 2.67 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 -177.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.586 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 31.9 mmm-85 -74.73 -24.73 0.56 Allowed Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 -167.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 62.0 Cg_endo -67.5 7.22 0.55 Allowed 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 121.895 1.73 . . . . 0.0 113.75 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.773 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 1.8 m-30 -79.41 53.3 1.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.02 -179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.811 ' HA ' ' HA ' ' A' ' 16' ' ' ALA . 8.1 p -77.4 141.81 15.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -57.26 132.46 53.1 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 121.62 0.724 . . . . 0.0 111.182 -176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -67.91 -37.48 81.76 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.945 -179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -81.73 -51.85 14.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.504 -174.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 p -99.88 -124.11 0.16 Allowed 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 119.728 -0.789 . . . . 0.0 109.44 172.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -157.39 37.94 0.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.781 0.324 . . . . 0.0 110.933 177.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.47 ' HB2' ' HE1' ' A' ' 17' ' ' PHE . 18.1 m -90.08 121.22 31.95 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 174.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.811 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . . . -89.48 129.31 35.99 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.22 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.773 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 5.6 m-85 -120.2 151.51 39.03 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' ' HA2' ' A' ' 4' ' ' GLY . 48.4 p -67.28 -45.51 76.41 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.918 0.39 . . . . 0.0 111.813 -177.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.2 p -109.89 150.09 28.94 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 121.889 -0.507 . . . . 0.0 111.45 -176.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -55.34 -35.88 65.68 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.818 0.818 . . . . 0.0 108.989 170.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.41 -43.4 93.03 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 113.995 -1.457 . . . . 0.0 111.449 -178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' A' ' 25' ' ' ARG . 82.1 m-20 -65.37 -41.0 94.24 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.876 176.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 50.8 t -60.2 -40.12 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 178.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.43 -47.31 85.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.061 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 40.2 ptt180 -67.33 -37.23 82.98 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.222 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' O ' HG22 ' A' ' 29' ' ' VAL . 59.8 t60 -59.98 -43.3 95.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.726 176.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.3 tp -49.42 -33.1 13.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.951 -169.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 25' ' ' ARG . 21.2 ptmt -53.43 -29.04 33.27 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 34' ' ' LEU . 21.7 m -59.08 -39.85 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.356 178.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -79.79 31.18 0.25 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.112 0.482 . . . . 0.0 111.331 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.2 t -171.37 30.83 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' CG ' ' H ' ' A' ' 33' ' ' THR . 32.1 t70 -172.1 -133.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 113.722 -1.581 . . . . 0.0 108.009 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.411 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 39.0 m -79.37 129.0 34.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.445 0.164 . . . . 0.0 110.649 176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HA ' ' HB ' ' A' ' 29' ' ' VAL . 91.6 mt -78.17 -41.18 35.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.88 0.371 . . . . 0.0 110.97 178.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.904 -177.069 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_