data_2ew4_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 2ew4 _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 ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 55.5 m -88.26 121.41 30.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.32 -124.07 3.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.503 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -73.45 64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.361 0.6 . . . . 0.0 110.281 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 66.2 39.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.703 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.614 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.0 m -83.53 137.27 33.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.782 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p80 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.408 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -135.44 128.68 31.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.056 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.33 -126.48 5.84 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -77.06 67.97 3.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.184 0.516 . . . . 0.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 69.34 38.09 1.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.791 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.9 68.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.572 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.6 m -77.97 128.87 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.668 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.805 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 79.6 m -93.28 119.3 32.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.87 -127.42 4.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.762 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.89 64.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.04 30.31 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.068 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -134.57 95.82 3.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.11 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -79.39 129.54 34.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.712 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.963 0.411 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.9 m -103.76 141.75 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.52 -110.56 0.79 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.921 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.73 67.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.999 0.52 . . . . 0.0 111.124 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HG3' ' HZ1' ' A' ' 8' ' ' LYS . 16.5 pttp 52.28 43.73 30.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.594 1.158 . . . . 0.0 110.872 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -156.37 130.99 8.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.307 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.6 m -110.98 132.33 54.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.449 . . . . 0.0 110.703 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.619 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 62.1 m -98.35 124.14 42.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.52 -128.07 5.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.312 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 16.4 t80 -74.76 66.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 110.125 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 26.6 mtpp 70.55 36.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.856 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -148.39 111.59 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.517 0.675 . . . . 0.0 110.396 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.6 m -90.31 137.87 31.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.623 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.658 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.822 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 58.5 m -83.36 122.75 28.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.71 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -128.81 6.48 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.512 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 31.0 t80 -76.13 68.39 2.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 111.174 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER 74.83 33.19 0.79 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.844 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -158.91 122.49 3.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.298 0.57 . . . . 0.0 110.052 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.822 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 47.6 m -90.06 133.72 34.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 63.3 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.807 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 56.1 m -80.13 119.67 23.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.482 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.8 -123.22 5.11 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.662 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -74.18 66.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.296 0.569 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 31.4 ttpt 66.03 43.23 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.126 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.1 115.87 2.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.374 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.807 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.2 m -88.34 126.7 35.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.172 0.511 . . . . 0.0 110.944 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.0 t60 . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 68.8 m . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.034 0.445 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.8 m -101.75 135.11 43.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.401 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.24 -123.15 3.04 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.148 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.3 68.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.707 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt 65.82 41.52 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.14 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.93 136.48 10.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -112.89 133.11 55.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.256 0.551 . . . . 0.0 111.019 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.1 t60 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.077 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.947 0.403 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -93.36 125.93 38.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.172 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.64 -126.5 5.85 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.88 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 19.7 t80 -73.85 66.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.325 0.583 . . . . 0.0 111.045 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 8.0 mtpm? 68.74 40.77 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.205 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -159.42 122.43 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.532 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.1 m -95.2 127.65 41.42 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.6 m170 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.775 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -89.23 121.67 31.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.39 -127.62 5.5 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.637 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -75.03 66.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.279 0.561 . . . . 0.0 110.682 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp 69.43 36.62 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.097 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -152.25 114.58 4.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.775 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.7 m -87.95 128.74 35.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.23 0.538 . . . . 0.0 111.019 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 t -136.03 127.39 28.43 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.727 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -132.4 7.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.094 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.13 63.78 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.318 . . . . 0.0 110.404 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.606 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 8.0 mtmp? 75.87 56.57 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.641 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 tp -154.15 70.49 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.8 m -78.67 128.89 34.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.316 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.209 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.7 m . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.5 m -105.7 123.09 47.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.41 -124.68 3.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.4 62.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.251 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.1 31.65 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.899 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.7 mt -139.02 106.85 5.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.7 m -85.32 139.35 31.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.722 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.864 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 t -139.12 127.76 23.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.285 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.03 -112.84 3.74 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 14.5 t80 -76.82 61.06 1.83 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.2 mmmt 73.73 -4.42 2.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.735 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.7 mt -79.72 72.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 0.0 109.741 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.0 m -77.95 128.55 34.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.837 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.949 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.176 0.512 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 t -79.5 130.53 35.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.928 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.07 -121.41 4.93 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.402 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.58 65.8 2.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 82.68 -23.17 0.21 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.401 1.08 . . . . 0.0 110.819 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -92.0 118.15 30.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.388 0.613 . . . . 0.0 111.059 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -87.85 140.93 29.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.149 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.805 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.4 m -80.6 48.21 1.03 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.487 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.19 -83.76 0.04 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.82 49.61 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.885 0.342 . . . . 0.0 111.797 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 59.36 27.43 16.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.448 0.642 . . . . 0.0 110.695 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.2 mt -136.69 114.81 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.498 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -78.15 124.38 27.98 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.826 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.937 -179.321 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.714 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.9 m -92.63 120.98 33.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.13 -122.72 4.6 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.02 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -73.35 61.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 122.948 0.499 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.72 36.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.531 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.48 116.33 5.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.064 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.714 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.8 m -88.88 130.82 35.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 111.124 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.848 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.4 m -116.52 43.34 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.071 0.462 . . . . 0.0 110.099 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.57 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.326 -0.852 . . . . 0.0 114.787 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.27 47.7 0.48 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 56.87 35.1 25.85 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.202 0.525 . . . . 0.0 111.339 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.7 tp -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.235 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.84 125.26 29.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.308 0.575 . . . . 0.0 111.511 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.739 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -156.02 137.08 13.66 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.354 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.24 -113.52 2.68 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.989 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -77.83 63.1 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 75.16 -6.99 1.86 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.73 71.12 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.01 127.21 31.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.587 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.0 m -97.24 123.11 40.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.48 -126.18 3.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.075 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -75.9 66.74 2.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 110.0 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 68.93 31.6 4.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.974 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -139.16 107.71 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.918 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.1 m -87.95 137.05 32.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.0 m . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.112 0.482 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 4.7 t -79.81 99.41 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 -114.74 0.55 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.078 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.699 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 30.1 t80 -72.82 69.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.699 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 10.5 ptpt 58.05 23.06 9.6 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.685 1.194 . . . . 0.0 111.567 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -119.53 95.36 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.856 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -77.99 126.24 30.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.841 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 C--N 1.324 -0.536 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -179.152 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -74.15 137.67 23.31 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.146 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.45 121.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.959 0.409 . . . . 0.0 110.772 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m -116.04 124.53 50.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.897 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 55.5 m -88.26 121.41 30.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.32 -124.07 3.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.503 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -73.45 64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.361 0.6 . . . . 0.0 110.281 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 66.2 39.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.703 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.614 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.0 m -83.53 137.27 33.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.782 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -162.25 161.74 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.484 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.0 m -76.21 114.4 14.85 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.318 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.631 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.78 -51.69 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.07 120.82 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -101.37 138.21 38.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -135.44 128.68 31.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.056 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.33 -126.48 5.84 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -77.06 67.97 3.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.184 0.516 . . . . 0.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 69.34 38.09 1.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.791 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.9 68.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.572 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.6 m -77.97 128.87 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.668 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -167.1 159.29 12.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.805 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.93 -44.45 73.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.3 -57.55 4.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.348 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.735 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.3 p -83.72 133.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -120.12 119.89 34.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.041 0.448 . . . . 0.0 110.543 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 79.6 m -93.28 119.3 32.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.87 -127.42 4.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.762 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.89 64.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.04 30.31 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.068 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -134.57 95.82 3.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.11 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.694 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -79.39 129.54 34.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.712 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -163.49 138.71 6.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.735 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.08 -29.04 64.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.535 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.57 -72.24 1.51 Allowed Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.4 p -79.85 134.67 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.1 m -118.11 127.8 54.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 84.9 m -103.76 141.75 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.52 -110.56 0.79 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.921 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.73 67.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.999 0.52 . . . . 0.0 111.124 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.405 ' HG3' ' HZ1' ' A' ' 8' ' ' LYS . 16.5 pttp 52.28 43.73 30.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.594 1.158 . . . . 0.0 110.872 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -156.37 130.99 8.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.307 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.6 m -110.98 132.33 54.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.449 . . . . 0.0 110.703 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -163.45 145.07 9.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.517 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 m -70.14 -35.07 73.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.6 -42.46 11.48 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.076 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -104.61 128.39 58.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.696 0.284 . . . . 0.0 110.452 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.1 m -109.91 123.7 50.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.894 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 62.1 m -98.35 124.14 42.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.52 -128.07 5.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.312 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 16.4 t80 -74.76 66.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 110.125 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 26.6 mtpp 70.55 36.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.856 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -148.39 111.59 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.517 0.675 . . . . 0.0 110.396 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.61 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.6 m -90.31 137.87 31.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.623 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -162.02 152.05 16.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -72.4 120.28 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.727 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.543 -0.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.487 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 66.73 -129.43 30.29 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.303 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 m -79.31 122.21 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-O 121.322 0.582 . . . . 0.0 110.365 178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -109.94 121.06 44.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.894 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.822 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 58.5 m -83.36 122.75 28.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.71 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -128.81 6.48 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.512 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 31.0 t80 -76.13 68.39 2.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 111.174 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER 74.83 33.19 0.79 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.844 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -158.91 122.49 3.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.298 0.57 . . . . 0.0 110.052 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.822 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 47.6 m -90.06 133.72 34.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -157.92 143.53 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.487 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -69.64 110.64 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.536 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.594 -0.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.85 125.58 11.4 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.319 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.684 HG13 HD23 ' A' ' 12' ' ' HYP . 6.9 m -103.85 130.43 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.996 0.427 . . . . 0.0 111.246 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 63.3 m -82.17 98.79 8.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.747 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.807 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 56.1 m -80.13 119.67 23.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.482 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.8 -123.22 5.11 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.662 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -74.18 66.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.296 0.569 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 31.4 ttpt 66.03 43.23 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.126 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.1 115.87 2.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.374 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.807 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.2 m -88.34 126.7 35.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.172 0.511 . . . . 0.0 110.944 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.0 t60 -150.65 130.01 12.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.684 HD23 HG13 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.34 114.09 4.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.574 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.15 121.54 5.91 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.557 HG13 ' HB3' ' A' ' 10' ' ' CYS . 22.5 t -98.17 126.51 51.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.804 0.335 . . . . 0.0 110.341 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 68.8 m -84.23 113.27 20.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.034 0.445 . . . . 0.0 110.525 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.8 m -101.75 135.11 43.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.401 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.24 -123.15 3.04 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.148 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.3 68.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.707 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt 65.82 41.52 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.14 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.93 136.48 10.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.557 ' HB3' HG13 ' A' ' 3' ' ' VAL . 71.5 m -112.89 133.11 55.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.256 0.551 . . . . 0.0 111.019 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.1 t60 -158.31 128.27 5.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.077 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.94 111.06 3.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.681 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.37 -62.15 1.83 Allowed Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.057 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 10' ' ' CYS . 45.6 t -110.81 121.26 63.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.859 0.361 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.4 m -99.76 120.42 39.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.471 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -93.36 125.93 38.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.172 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.64 -126.5 5.85 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.88 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 19.7 t80 -73.85 66.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.325 0.583 . . . . 0.0 111.045 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 8.0 mtpm? 68.74 40.77 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.205 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -159.42 122.43 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.532 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.1 m -95.2 127.65 41.42 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -135.97 145.36 46.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.34 -46.73 63.6 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.11 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 -120.26 12.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.235 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.822 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.1 p -78.92 134.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.95 117.04 24.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.775 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -89.23 121.67 31.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.39 -127.62 5.5 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.637 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -75.03 66.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.279 0.561 . . . . 0.0 110.682 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp 69.43 36.62 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.097 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -152.25 114.58 4.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.775 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.7 m -87.95 128.74 35.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.23 0.538 . . . . 0.0 111.019 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -151.91 129.3 11.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.822 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m -69.22 -35.33 76.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.837 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.54 44.31 0.32 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.557 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.5 106.78 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.41 136.41 33.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 t -136.03 127.39 28.43 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.727 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -132.4 7.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.094 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.13 63.78 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.318 . . . . 0.0 110.404 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 8.0 mtmp? 75.87 56.57 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.641 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 tp -154.15 70.49 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.8 m -78.67 128.89 34.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.316 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -166.33 150.65 7.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.209 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.07 114.42 10.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.739 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.41 -135.77 0.99 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.714 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.762 HG13 ' HB3' ' A' ' 10' ' ' CYS . 40.3 t -81.33 124.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.7 m -83.43 121.3 27.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.895 0.379 . . . . 0.0 110.446 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.5 m -105.7 123.09 47.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.41 -124.68 3.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.4 62.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.251 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.1 31.65 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.899 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.7 mt -139.02 106.85 5.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.762 ' HB3' HG13 ' A' ' 3' ' ' VAL . 67.7 m -85.32 139.35 31.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.722 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -165.35 166.73 18.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.864 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.9 m -71.79 114.77 10.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.97 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.554 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 176.15 -134.09 2.52 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.501 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 38.7 t -78.87 98.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.139 0.495 . . . . 0.0 109.719 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.15 135.18 34.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.826 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 t -139.12 127.76 23.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.285 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.03 -112.84 3.74 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 14.5 t80 -76.82 61.06 1.83 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.2 mmmt 73.73 -4.42 2.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.735 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.7 mt -79.72 72.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 0.0 109.741 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.0 m -77.95 128.55 34.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.837 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -170.6 139.56 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.949 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.59 -23.78 62.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.082 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.56 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.6 p30 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.76 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 76.76 135.74 0.67 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.311 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.69 82.57 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 0.0 110.215 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -79.61 88.55 5.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.555 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 t -79.5 130.53 35.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.928 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.07 -121.41 4.93 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.402 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.58 65.8 2.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 82.68 -23.17 0.21 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.401 1.08 . . . . 0.0 110.819 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -92.0 118.15 30.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.388 0.613 . . . . 0.0 111.059 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.852 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -87.85 140.93 29.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.149 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -163.5 135.21 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.76 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -71.22 112.46 7.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.575 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -66.42 128.07 29.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.7 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.479 HG11 ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -82.42 83.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 0.0 110.175 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.3 m -79.23 80.85 5.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.748 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.479 ' SG ' HG11 ' A' ' 3' ' ' VAL . 20.4 m -80.6 48.21 1.03 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.487 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.19 -83.76 0.04 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.82 49.61 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.885 0.342 . . . . 0.0 111.797 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 59.36 27.43 16.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.448 0.642 . . . . 0.0 110.695 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.2 mt -136.69 114.81 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.498 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -78.15 124.38 27.98 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.826 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -171.99 149.7 2.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.937 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.565 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -61.96 -35.51 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.402 0.439 . . . . 0.0 111.032 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.571 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -49.25 27.36 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.011 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.623 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 28.0 t -80.01 126.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -113.48 117.17 30.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.946 0.403 . . . . 0.0 110.386 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.714 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.9 m -92.63 120.98 33.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.13 -122.72 4.6 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.02 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -73.35 61.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 122.948 0.499 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.72 36.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.531 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.48 116.33 5.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.064 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.714 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.8 m -88.88 130.82 35.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 111.124 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -153.08 129.62 10.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.623 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.95 109.47 5.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.684 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.549 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -67.42 -56.93 10.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.657 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 46.9 t -83.32 131.35 33.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.2 m -123.53 129.48 51.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.4 m -116.52 43.34 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.071 0.462 . . . . 0.0 110.099 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.57 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.326 -0.852 . . . . 0.0 114.787 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.27 47.7 0.48 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 56.87 35.1 25.85 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.202 0.525 . . . . 0.0 111.339 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.7 tp -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.235 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.84 125.26 29.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.308 0.575 . . . . 0.0 111.511 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -170.03 145.44 2.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.739 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . 0.468 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.79 -29.42 66.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.522 -0.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.623 0.249 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.31 -48.41 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.7 m -79.54 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.12 147.31 26.21 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -156.02 137.08 13.66 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.354 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.24 -113.52 2.68 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.989 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -77.83 63.1 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 75.16 -6.99 1.86 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.73 71.12 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.01 127.21 31.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.587 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -178.35 148.09 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.9 m -67.49 -39.78 85.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.537 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.02 -50.69 0.18 Allowed Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -103.64 129.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -122.84 127.77 49.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.0 m -97.24 123.11 40.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.48 -126.18 3.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.075 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -75.9 66.74 2.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 110.0 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 68.93 31.6 4.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.974 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -139.16 107.71 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.918 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.1 m -87.95 137.05 32.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.54 167.74 17.15 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -67.64 -46.67 71.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.911 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.197 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.518 0.199 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.93 -61.92 4.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.961 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.37 118.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.69 88.46 3.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.112 0.482 . . . . 0.0 110.373 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 4.7 t -79.81 99.41 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 -114.74 0.55 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.078 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.699 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 30.1 t80 -72.82 69.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.699 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 10.5 ptpt 58.05 23.06 9.6 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.685 1.194 . . . . 0.0 111.567 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -119.53 95.36 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.856 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -77.99 126.24 30.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.841 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -167.6 155.14 8.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.9 m -63.75 -46.25 86.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.227 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 55.5 m -88.26 121.41 30.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.32 -124.07 3.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.503 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -73.45 64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.361 0.6 . . . . 0.0 110.281 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 66.2 39.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.703 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.614 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.0 m -83.53 137.27 33.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.782 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p80 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.408 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -135.44 128.68 31.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.056 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.33 -126.48 5.84 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -77.06 67.97 3.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.184 0.516 . . . . 0.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 69.34 38.09 1.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.791 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.9 68.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.572 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.6 m -77.97 128.87 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.668 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.805 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 79.6 m -93.28 119.3 32.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.87 -127.42 4.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.762 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.89 64.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.04 30.31 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.068 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -134.57 95.82 3.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.11 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -79.39 129.54 34.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.712 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.963 0.411 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 84.9 m -103.76 141.75 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.52 -110.56 0.79 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.921 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.73 67.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.999 0.52 . . . . 0.0 111.124 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 pttp 52.28 43.73 30.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.594 1.158 . . . . 0.0 110.872 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -156.37 130.99 8.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.307 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.6 m -110.98 132.33 54.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.449 . . . . 0.0 110.703 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.619 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 62.1 m -98.35 124.14 42.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.52 -128.07 5.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.312 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 16.4 t80 -74.76 66.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 110.125 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 26.6 mtpp 70.55 36.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.856 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -148.39 111.59 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.517 0.675 . . . . 0.0 110.396 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.6 m -90.31 137.87 31.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.623 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.658 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 58.5 m -83.36 122.75 28.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.71 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -128.81 6.48 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.512 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 31.0 t80 -76.13 68.39 2.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 111.174 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER 74.83 33.19 0.79 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.844 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.6 pt? -158.91 122.49 3.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.298 0.57 . . . . 0.0 110.052 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 47.6 m -90.06 133.72 34.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 63.3 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.815 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 56.1 m -80.13 119.67 23.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.482 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.8 -123.22 5.11 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.662 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -74.18 66.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.296 0.569 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 31.4 ttpt 66.03 43.23 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.126 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.1 115.87 2.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.374 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.815 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.2 m -88.34 126.7 35.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.172 0.511 . . . . 0.0 110.944 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.0 t60 . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 68.8 m . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.034 0.445 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.8 m -101.75 135.11 43.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.401 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.24 -123.15 3.04 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.148 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.3 68.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.707 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt 65.82 41.52 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.14 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.93 136.48 10.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -112.89 133.11 55.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.256 0.551 . . . . 0.0 111.019 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.1 t60 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.077 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.947 0.403 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -93.36 125.93 38.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.172 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.64 -126.5 5.85 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.88 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 19.7 t80 -73.85 66.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.325 0.583 . . . . 0.0 111.045 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 8.0 mtpm? 68.74 40.77 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.205 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -159.42 122.43 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.532 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.1 m -95.2 127.65 41.42 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -89.23 121.67 31.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.39 -127.62 5.5 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.637 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -75.03 66.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.279 0.561 . . . . 0.0 110.682 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp 69.43 36.62 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.097 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -152.25 114.58 4.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.7 m -87.95 128.74 35.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.23 0.538 . . . . 0.0 111.019 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 t -136.03 127.39 28.43 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.727 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -132.4 7.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.094 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.13 63.78 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.318 . . . . 0.0 110.404 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.606 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 8.0 mtmp? 75.87 56.57 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.641 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 tp -154.15 70.49 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.8 m -78.67 128.89 34.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.316 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.209 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.7 m . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.5 m -105.7 123.09 47.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.41 -124.68 3.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.4 62.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.251 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.1 31.65 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.899 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.7 mt -139.02 106.85 5.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.7 m -85.32 139.35 31.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.722 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.864 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 t -139.12 127.76 23.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.285 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.03 -112.84 3.74 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 14.5 t80 -76.82 61.06 1.83 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.2 mmmt 73.73 -4.42 2.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.735 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.7 mt -79.72 72.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 0.0 109.741 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.0 m -77.95 128.55 34.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.837 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.949 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.176 0.512 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 t -79.5 130.53 35.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.928 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.07 -121.41 4.93 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.402 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.58 65.8 2.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 82.68 -23.17 0.21 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.401 1.08 . . . . 0.0 110.819 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 9' ' ' LEU . 2.5 mm? -92.0 118.15 30.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.388 0.613 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -87.85 140.93 29.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.149 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.805 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.4 m -80.6 48.21 1.03 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.487 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.19 -83.76 0.04 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.82 49.61 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.885 0.342 . . . . 0.0 111.797 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 59.36 27.43 16.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.448 0.642 . . . . 0.0 110.695 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.2 mt -136.69 114.81 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.498 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -78.15 124.38 27.98 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.826 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.937 -179.321 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.722 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.9 m -92.63 120.98 33.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.13 -122.72 4.6 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.02 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -73.35 61.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 122.948 0.499 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.72 36.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.531 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.48 116.33 5.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.064 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.722 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.8 m -88.88 130.82 35.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 111.124 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.848 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.4 m -116.52 43.34 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.071 0.462 . . . . 0.0 110.099 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.57 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.326 -0.852 . . . . 0.0 114.787 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.27 47.7 0.48 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 56.87 35.1 25.85 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.202 0.525 . . . . 0.0 111.339 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 61.7 tp -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.235 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.84 125.26 29.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.308 0.575 . . . . 0.0 111.511 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.739 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -156.02 137.08 13.66 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.354 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.24 -113.52 2.68 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.989 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -77.83 63.1 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 75.16 -6.99 1.86 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.73 71.12 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.01 127.21 31.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.587 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.0 m -97.24 123.11 40.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.48 -126.18 3.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.075 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -75.9 66.74 2.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 110.0 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 68.93 31.6 4.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.974 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -139.16 107.71 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.918 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.1 m -87.95 137.05 32.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.0 m . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.112 0.482 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 4.7 t -79.81 99.41 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 -114.74 0.55 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.078 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.709 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 30.1 t80 -72.82 69.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 10.5 ptpt 58.05 23.06 9.6 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.685 1.194 . . . . 0.0 111.567 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -119.53 95.36 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.856 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -77.99 126.24 30.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.841 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 C--N 1.324 -0.536 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -179.152 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -74.15 137.67 23.31 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.146 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.45 121.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.959 0.409 . . . . 0.0 110.772 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m -116.04 124.53 50.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.897 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 55.5 m -88.26 121.41 30.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.32 -124.07 3.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.503 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -73.45 64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.361 0.6 . . . . 0.0 110.281 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 66.2 39.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.703 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.614 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.0 m -83.53 137.27 33.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.782 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -162.25 161.74 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.508 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.0 m -76.21 114.4 14.85 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.318 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.631 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.78 -51.69 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.07 120.82 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -101.37 138.21 38.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -135.44 128.68 31.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.056 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.33 -126.48 5.84 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -77.06 67.97 3.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.184 0.516 . . . . 0.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 69.34 38.09 1.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.791 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.9 68.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.572 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.6 m -77.97 128.87 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.668 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.1 159.29 12.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.805 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.93 -44.45 73.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.3 -57.55 4.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.348 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.717 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.3 p -83.72 133.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -120.12 119.89 34.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.041 0.448 . . . . 0.0 110.543 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 79.6 m -93.28 119.3 32.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.87 -127.42 4.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.762 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.89 64.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.04 30.31 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.068 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -134.57 95.82 3.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.11 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -79.39 129.54 34.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.712 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -163.49 138.71 6.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.717 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.08 -29.04 64.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.535 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.57 -72.24 1.51 Allowed Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.4 p -79.85 134.67 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.1 m -118.11 127.8 54.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 84.9 m -103.76 141.75 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.52 -110.56 0.79 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.921 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.73 67.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.999 0.52 . . . . 0.0 111.124 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 pttp 52.28 43.73 30.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.594 1.158 . . . . 0.0 110.872 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -156.37 130.99 8.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.307 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.6 m -110.98 132.33 54.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.449 . . . . 0.0 110.703 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -163.45 145.07 9.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 m -70.14 -35.07 73.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.6 -42.46 11.48 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.076 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -104.61 128.39 58.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.696 0.284 . . . . 0.0 110.452 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.1 m -109.91 123.7 50.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.894 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 62.1 m -98.35 124.14 42.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.52 -128.07 5.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.312 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 16.4 t80 -74.76 66.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 110.125 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 26.6 mtpp 70.55 36.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.856 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -148.39 111.59 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.517 0.675 . . . . 0.0 110.396 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.6 m -90.31 137.87 31.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.623 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -162.02 152.05 16.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -72.4 120.28 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.727 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.543 -0.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 66.73 -129.43 30.29 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.303 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 12' ' ' HYP . 9.7 m -79.31 122.21 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-O 121.322 0.582 . . . . 0.0 110.365 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -109.94 121.06 44.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.894 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 58.5 m -83.36 122.75 28.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.71 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -128.81 6.48 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.512 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 31.0 t80 -76.13 68.39 2.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 111.174 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER 74.83 33.19 0.79 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.844 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.6 pt? -158.91 122.49 3.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.298 0.57 . . . . 0.0 110.052 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 47.6 m -90.06 133.72 34.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -157.92 143.53 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.543 HD23 HG12 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -69.64 110.64 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.536 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.594 -0.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.85 125.58 11.4 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.319 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.733 HG12 HD23 ' A' ' 12' ' ' HYP . 6.9 m -103.85 130.43 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.996 0.427 . . . . 0.0 111.246 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 63.3 m -82.17 98.79 8.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.747 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.815 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 56.1 m -80.13 119.67 23.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.482 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.8 -123.22 5.11 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.662 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -74.18 66.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.296 0.569 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HE2' ' HB3' ' A' ' 8' ' ' LYS . 31.4 ttpt 66.03 43.23 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.126 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.1 115.87 2.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.374 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.815 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.2 m -88.34 126.7 35.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.172 0.511 . . . . 0.0 110.944 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.0 t60 -150.65 130.01 12.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.733 HD23 HG12 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.34 114.09 4.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.574 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.15 121.54 5.91 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.5 t -98.17 126.51 51.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.804 0.335 . . . . 0.0 110.341 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 68.8 m -84.23 113.27 20.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.034 0.445 . . . . 0.0 110.525 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.8 m -101.75 135.11 43.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.401 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.24 -123.15 3.04 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.148 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.3 68.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.707 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt 65.82 41.52 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.14 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.93 136.48 10.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -112.89 133.11 55.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.256 0.551 . . . . 0.0 111.019 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.1 t60 -158.31 128.27 5.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.077 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.94 111.06 3.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.681 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.37 -62.15 1.83 Allowed Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.057 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 45.6 t -110.81 121.26 63.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.859 0.361 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.4 m -99.76 120.42 39.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.471 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -93.36 125.93 38.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.172 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.64 -126.5 5.85 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.88 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 19.7 t80 -73.85 66.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.325 0.583 . . . . 0.0 111.045 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 8.0 mtpm? 68.74 40.77 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.205 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -159.42 122.43 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.532 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.1 m -95.2 127.65 41.42 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -135.97 145.36 46.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.34 -46.73 63.6 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.11 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 -120.26 12.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.235 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.79 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.1 p -78.92 134.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.95 117.04 24.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -89.23 121.67 31.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.39 -127.62 5.5 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.637 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -75.03 66.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.279 0.561 . . . . 0.0 110.682 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp 69.43 36.62 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.097 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -152.25 114.58 4.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.7 m -87.95 128.74 35.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.23 0.538 . . . . 0.0 111.019 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -151.91 129.3 11.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.79 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m -69.22 -35.33 76.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.837 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.54 44.31 0.32 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.557 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.5 106.78 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.41 136.41 33.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 t -136.03 127.39 28.43 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.727 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -132.4 7.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.094 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.13 63.78 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.318 . . . . 0.0 110.404 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 8.0 mtmp? 75.87 56.57 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.641 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 tp -154.15 70.49 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.8 m -78.67 128.89 34.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.316 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.33 150.65 7.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.209 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.07 114.42 10.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.739 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.41 -135.77 0.99 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.714 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -81.33 124.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.7 m -83.43 121.3 27.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.895 0.379 . . . . 0.0 110.446 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.5 m -105.7 123.09 47.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.41 -124.68 3.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.4 62.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.251 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.1 31.65 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.899 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.7 mt -139.02 106.85 5.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.7 m -85.32 139.35 31.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.722 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.35 166.73 18.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.864 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.9 m -71.79 114.77 10.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.97 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.554 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 176.15 -134.09 2.52 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 38.7 t -78.87 98.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.139 0.495 . . . . 0.0 109.719 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.15 135.18 34.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.826 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 t -139.12 127.76 23.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.285 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.03 -112.84 3.74 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 14.5 t80 -76.82 61.06 1.83 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.2 mmmt 73.73 -4.42 2.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.735 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.7 mt -79.72 72.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 0.0 109.741 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.0 m -77.95 128.55 34.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.837 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 139.56 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.949 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.59 -23.78 62.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.082 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.56 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.6 p30 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.754 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 76.76 135.74 0.67 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.311 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.69 82.57 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 0.0 110.215 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -79.61 88.55 5.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.555 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 t -79.5 130.53 35.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.928 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.07 -121.41 4.93 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.402 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.58 65.8 2.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 82.68 -23.17 0.21 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.401 1.08 . . . . 0.0 110.819 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 9' ' ' LEU . 2.5 mm? -92.0 118.15 30.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.388 0.613 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -87.85 140.93 29.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.149 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -163.5 135.21 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.754 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -71.22 112.46 7.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.575 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -66.42 128.07 29.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.7 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.502 HG12 ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -82.42 83.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 0.0 110.175 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.3 m -79.23 80.85 5.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.748 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.502 ' SG ' HG12 ' A' ' 3' ' ' VAL . 20.4 m -80.6 48.21 1.03 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.487 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.19 -83.76 0.04 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.82 49.61 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.885 0.342 . . . . 0.0 111.797 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 59.36 27.43 16.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.448 0.642 . . . . 0.0 110.695 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.2 mt -136.69 114.81 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.498 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -78.15 124.38 27.98 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.826 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -171.99 149.7 2.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.937 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.564 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -61.96 -35.51 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.402 0.439 . . . . 0.0 111.032 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.571 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -49.25 27.36 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.011 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.612 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 28.0 t -80.01 126.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -113.48 117.17 30.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.946 0.403 . . . . 0.0 110.386 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.722 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.9 m -92.63 120.98 33.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.13 -122.72 4.6 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.02 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -73.35 61.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 122.948 0.499 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.72 36.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.531 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.48 116.33 5.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.064 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.722 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.8 m -88.88 130.82 35.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 111.124 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -153.08 129.62 10.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.612 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.95 109.47 5.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.684 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.549 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -67.42 -56.93 10.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.657 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 46.9 t -83.32 131.35 33.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.2 m -123.53 129.48 51.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.4 m -116.52 43.34 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.071 0.462 . . . . 0.0 110.099 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.57 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.326 -0.852 . . . . 0.0 114.787 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.27 47.7 0.48 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 56.87 35.1 25.85 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.202 0.525 . . . . 0.0 111.339 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 61.7 tp -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.235 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.84 125.26 29.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.308 0.575 . . . . 0.0 111.511 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 145.44 2.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.739 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.478 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.79 -29.42 66.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.522 -0.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.623 0.249 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.31 -48.41 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.7 m -79.54 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.12 147.31 26.21 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -156.02 137.08 13.66 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.354 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.24 -113.52 2.68 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.989 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -77.83 63.1 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 75.16 -6.99 1.86 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.73 71.12 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.01 127.21 31.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.587 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -178.35 148.09 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.9 m -67.49 -39.78 85.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.537 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.02 -50.69 0.18 Allowed Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -103.64 129.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -122.84 127.77 49.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.0 m -97.24 123.11 40.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.48 -126.18 3.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.075 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -75.9 66.74 2.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 110.0 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 68.93 31.6 4.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.974 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -139.16 107.71 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.918 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.1 m -87.95 137.05 32.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.54 167.74 17.15 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -67.64 -46.67 71.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.911 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.197 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.518 0.199 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.93 -61.92 4.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.961 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 59.8 t -104.37 118.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.69 88.46 3.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.112 0.482 . . . . 0.0 110.373 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 4.7 t -79.81 99.41 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 -114.74 0.55 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.078 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.709 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 30.1 t80 -72.82 69.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 10.5 ptpt 58.05 23.06 9.6 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.685 1.194 . . . . 0.0 111.567 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -119.53 95.36 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.856 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -77.99 126.24 30.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.841 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -167.6 155.14 8.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HYP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.9 m -63.75 -46.25 86.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.227 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 55.5 m -88.26 121.41 30.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.32 -124.07 3.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.503 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -73.45 64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.361 0.6 . . . . 0.0 110.281 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 66.2 39.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.703 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.614 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.0 m -83.53 137.27 33.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.782 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p80 . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.408 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -135.44 128.68 31.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.056 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.33 -126.48 5.84 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -77.06 67.97 3.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.184 0.516 . . . . 0.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 69.34 38.09 1.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.791 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.9 68.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.572 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.6 m -77.97 128.87 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.668 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.805 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 121.041 0.448 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 79.6 m -93.28 119.3 32.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.87 -127.42 4.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.762 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.89 64.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.04 30.31 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.068 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -134.57 95.82 3.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.11 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -79.39 129.54 34.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.712 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.882 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.963 0.411 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 84.9 m -103.76 141.75 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.52 -110.56 0.79 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.921 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.73 67.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.999 0.52 . . . . 0.0 111.124 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 pttp 52.28 43.73 30.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.594 1.158 . . . . 0.0 110.872 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -156.37 130.99 8.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.307 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.6 m -110.98 132.33 54.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.449 . . . . 0.0 110.703 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.8 p80 . . . . . 0 C--N 1.322 -0.593 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.619 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.1 m . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 62.1 m -98.35 124.14 42.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.52 -128.07 5.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.312 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 16.4 t80 -74.76 66.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 110.125 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 26.6 mtpp 70.55 36.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.856 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -148.39 111.59 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.517 0.675 . . . . 0.0 110.396 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.6 m -90.31 137.87 31.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.623 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 . . . . . 0 C--N 1.325 -0.46 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.658 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m . . . . . 0 N--CA 1.45 -0.449 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 58.5 m -83.36 122.75 28.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.71 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -128.81 6.48 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.512 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 31.0 t80 -76.13 68.39 2.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 111.174 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER 74.83 33.19 0.79 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.844 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.6 pt? -158.91 122.49 3.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.298 0.57 . . . . 0.0 110.052 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 47.6 m -90.06 133.72 34.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.8 p80 . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.581 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 63.3 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.815 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 56.1 m -80.13 119.67 23.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.482 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.8 -123.22 5.11 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.662 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -74.18 66.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.296 0.569 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 31.4 ttpt 66.03 43.23 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.126 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.1 115.87 2.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.374 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.815 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.2 m -88.34 126.7 35.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.172 0.511 . . . . 0.0 110.944 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.0 t60 . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 68.8 m . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 121.034 0.445 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.8 m -101.75 135.11 43.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.401 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.24 -123.15 3.04 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.148 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.3 68.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.707 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt 65.82 41.52 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.14 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.93 136.48 10.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -112.89 133.11 55.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.256 0.551 . . . . 0.0 111.019 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.1 t60 . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.077 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.451 -0.378 0 CA-C-O 120.947 0.403 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -93.36 125.93 38.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.172 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.64 -126.5 5.85 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.88 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 19.7 t80 -73.85 66.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.325 0.583 . . . . 0.0 111.045 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 8.0 mtpm? 68.74 40.77 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.205 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -159.42 122.43 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.532 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.1 m -95.2 127.65 41.42 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.6 m170 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -89.23 121.67 31.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.39 -127.62 5.5 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.637 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -75.03 66.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.279 0.561 . . . . 0.0 110.682 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp 69.43 36.62 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.097 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -152.25 114.58 4.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.7 m -87.95 128.74 35.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.23 0.538 . . . . 0.0 111.019 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 . . . . . 0 C--N 1.323 -0.584 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 t -136.03 127.39 28.43 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.727 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -132.4 7.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.094 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.13 63.78 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.318 . . . . 0.0 110.404 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.606 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 8.0 mtmp? 75.87 56.57 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.641 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 tp -154.15 70.49 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.8 m -78.67 128.89 34.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.316 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.209 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.7 m . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.895 0.379 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.5 m -105.7 123.09 47.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.41 -124.68 3.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.4 62.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.251 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.1 31.65 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.899 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.7 mt -139.02 106.85 5.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.7 m -85.32 139.35 31.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.722 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.864 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 N--CA 1.449 -0.479 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 t -139.12 127.76 23.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.285 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.03 -112.84 3.74 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 14.5 t80 -76.82 61.06 1.83 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.2 mmmt 73.73 -4.42 2.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.735 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.7 mt -79.72 72.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 0.0 109.741 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.0 m -77.95 128.55 34.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.837 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.949 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 121.176 0.512 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 t -79.5 130.53 35.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.928 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.07 -121.41 4.93 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.402 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.58 65.8 2.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 82.68 -23.17 0.21 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.401 1.08 . . . . 0.0 110.819 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 9' ' ' LEU . 2.5 mm? -92.0 118.15 30.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.388 0.613 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -87.85 140.93 29.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.149 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--N 1.329 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.805 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.4 m -80.6 48.21 1.03 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.487 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.19 -83.76 0.04 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.82 49.61 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.885 0.342 . . . . 0.0 111.797 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 59.36 27.43 16.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.448 0.642 . . . . 0.0 110.695 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.2 mt -136.69 114.81 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.498 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -78.15 124.38 27.98 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.826 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.937 -179.321 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m . . . . . 0 N--CA 1.451 -0.409 0 CA-C-O 120.946 0.403 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.722 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.9 m -92.63 120.98 33.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.13 -122.72 4.6 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.02 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -73.35 61.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 122.948 0.499 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.72 36.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.531 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.48 116.33 5.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.064 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.722 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.8 m -88.88 130.82 35.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 111.124 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.848 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.2 m . . . . . 0 N--CA 1.451 -0.414 0 CA-C-O 120.583 0.23 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.4 m -116.52 43.34 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.071 0.462 . . . . 0.0 110.099 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.57 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.326 -0.852 . . . . 0.0 114.787 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.27 47.7 0.48 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 56.87 35.1 25.85 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.202 0.525 . . . . 0.0 111.339 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 61.7 tp -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.235 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.84 125.26 29.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.308 0.575 . . . . 0.0 111.511 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.739 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -156.02 137.08 13.66 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.354 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.24 -113.52 2.68 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.989 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -77.83 63.1 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 75.16 -6.99 1.86 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.73 71.12 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.01 127.21 31.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.587 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.0 m -97.24 123.11 40.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.48 -126.18 3.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.075 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -75.9 66.74 2.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 110.0 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 68.93 31.6 4.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.974 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -139.16 107.71 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.918 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.1 m -87.95 137.05 32.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.0 m . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.112 0.482 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 4.7 t -79.81 99.41 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 -114.74 0.55 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.078 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.709 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 30.1 t80 -72.82 69.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 10.5 ptpt 58.05 23.06 9.6 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.685 1.194 . . . . 0.0 111.567 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -119.53 95.36 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.856 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -77.99 126.24 30.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.841 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 C--N 1.324 -0.536 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -179.152 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -74.15 137.67 23.31 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.535 -0.84 . . . . 0.0 111.146 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.0 t -108.45 121.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.959 0.409 . . . . 0.0 110.772 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 98.1 m -116.04 124.53 50.68 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.897 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 55.5 m -88.26 121.41 30.63 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.32 -124.07 3.34 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.503 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -73.45 64.65 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.361 0.6 . . . . 0.0 110.281 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER 66.2 39.98 4.01 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.703 -179.02 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -152.79 110.66 3.62 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.614 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.784 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.0 m -83.53 137.27 33.94 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.782 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -162.25 161.74 27.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.508 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.0 m -76.21 114.4 14.85 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.318 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.631 -0.258 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 . . . . . 0 N--CA 1.483 1.205 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.78 -51.69 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.2 t -106.07 120.82 57.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.1 m -101.37 138.21 38.68 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.6 t -135.44 128.68 31.95 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.056 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.33 -126.48 5.84 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.616 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -77.06 67.97 3.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.184 0.516 . . . . 0.0 109.849 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt 69.34 38.09 1.91 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.791 -179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -127.9 68.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.572 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.6 m -77.97 128.87 34.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.668 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -167.1 159.29 12.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.805 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 m -68.93 -44.45 73.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.919 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.173 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.3 -57.55 4.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.348 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.717 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.3 p -83.72 133.49 29.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 77.5 m -120.12 119.89 34.64 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.041 0.448 . . . . 0.0 110.543 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 79.6 m -93.28 119.3 32.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.537 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -93.87 -127.42 4.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.762 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.89 64.13 1.26 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 70.04 30.31 3.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.068 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.8 mt -134.57 95.82 3.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.11 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.1 m -79.39 129.54 34.56 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.712 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -163.49 138.71 6.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.717 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 m -71.08 -29.04 64.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.815 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.535 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.57 -72.24 1.51 Allowed Glycine 0 C--N 1.33 0.233 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.4 p -79.85 134.67 27.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 58.1 m -118.11 127.8 54.12 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.621 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 84.9 m -103.76 141.75 35.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.52 -110.56 0.79 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.921 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -71.73 67.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 122.999 0.52 . . . . 0.0 111.124 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 pttp 52.28 43.73 30.45 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.594 1.158 . . . . 0.0 110.872 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.5 tp -156.37 130.99 8.89 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.307 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.6 m -110.98 132.33 54.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.042 0.449 . . . . 0.0 110.703 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -163.45 145.07 9.5 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.483 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.9 m -70.14 -35.07 73.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.783 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 116.58 -0.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.6 -42.46 11.48 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.076 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -104.61 128.39 58.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.696 0.284 . . . . 0.0 110.452 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.1 m -109.91 123.7 50.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.894 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 62.1 m -98.35 124.14 42.84 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.52 -128.07 5.87 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.312 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 16.4 t80 -74.76 66.08 1.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.245 0.545 . . . . 0.0 110.125 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 26.6 mtpp 70.55 36.85 1.58 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.856 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -148.39 111.59 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.517 0.675 . . . . 0.0 110.396 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.6 m -90.31 137.87 31.99 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.623 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -162.02 152.05 16.74 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 -179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.8 m -72.4 120.28 17.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.727 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.543 -0.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 66.73 -129.43 30.29 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.303 -178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.543 HG12 HD23 ' A' ' 12' ' ' HYP . 9.7 m -79.31 122.21 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.655 0 CA-C-O 121.322 0.582 . . . . 0.0 110.365 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.5 m -109.94 121.06 44.37 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.894 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 58.5 m -83.36 122.75 28.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.71 -179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -128.81 6.48 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.512 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.479 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 31.0 t80 -76.13 68.39 2.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.188 0.518 . . . . 0.0 111.174 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER 74.83 33.19 0.79 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.844 179.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 2.6 pt? -158.91 122.49 3.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.298 0.57 . . . . 0.0 110.052 178.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.828 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 47.6 m -90.06 133.72 34.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.508 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -157.92 143.53 17.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.543 HD23 HG12 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.8 m -69.64 110.64 4.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.536 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.594 -0.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.85 125.58 11.4 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.48 -0.867 . . . . 0.0 111.319 179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.733 HG12 HD23 ' A' ' 12' ' ' HYP . 6.9 m -103.85 130.43 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 120.996 0.427 . . . . 0.0 111.246 -179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 63.3 m -82.17 98.79 8.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.747 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.815 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 56.1 m -80.13 119.67 23.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.482 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.8 -123.22 5.11 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.662 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -74.18 66.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.296 0.569 . . . . 0.0 110.779 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 31.4 ttpt 66.03 43.23 3.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.126 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.0 tp -160.1 115.87 2.39 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.374 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.815 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 70.2 m -88.34 126.7 35.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.172 0.511 . . . . 0.0 110.944 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.0 t60 -150.65 130.01 12.88 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.733 HD23 HG12 ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.5 m -64.34 114.09 4.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.861 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.574 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.15 121.54 5.91 Favored Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.5 t -98.17 126.51 51.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.804 0.335 . . . . 0.0 110.341 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' HIS . 68.8 m -84.23 113.27 20.98 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.034 0.445 . . . . 0.0 110.525 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 68.8 m -101.75 135.11 43.84 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.401 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -120.24 -123.15 3.04 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.148 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -73.3 68.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.317 0.579 . . . . 0.0 111.707 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt 65.82 41.52 3.81 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.14 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -158.93 136.48 10.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.38 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.5 m -112.89 133.11 55.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.256 0.551 . . . . 0.0 111.019 -178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 4' ' ' CYS . 86.1 t60 -158.31 128.27 5.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.077 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 65.7 m -65.94 111.06 3.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.681 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.513 -0.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.37 -62.15 1.83 Allowed Glycine 0 N--CA 1.453 -0.195 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.057 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 45.6 t -110.81 121.26 63.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.859 0.361 . . . . 0.0 110.6 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 69.4 m -99.76 120.42 39.71 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.471 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 59.7 m -93.36 125.93 38.23 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.172 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.64 -126.5 5.85 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.88 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 19.7 t80 -73.85 66.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.325 0.583 . . . . 0.0 111.045 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 8.0 mtpm? 68.74 40.77 1.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.205 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -159.42 122.43 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.532 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.678 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 64.1 m -95.2 127.65 41.42 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.03 0.443 . . . . 0.0 111.063 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -135.97 145.36 46.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.34 -46.73 63.6 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.634 0 CA-C-N 116.11 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.49 -120.26 12.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.235 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.79 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 7.1 p -78.92 134.38 28.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.95 117.04 24.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.065 0.46 . . . . 0.0 110.581 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.9 m -89.23 121.67 31.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.782 0.325 . . . . 0.0 110.408 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -96.39 -127.62 5.5 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.637 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -75.03 66.97 1.67 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.279 0.561 . . . . 0.0 110.682 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp 69.43 36.62 2.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.097 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -152.25 114.58 4.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.777 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.7 m -87.95 128.74 35.38 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.23 0.538 . . . . 0.0 111.019 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -151.91 129.3 11.33 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.79 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.2 m -69.22 -35.33 76.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.837 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.439 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.54 44.31 0.32 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.557 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -106.5 106.78 21.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 0.0 110.553 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.5 m -84.41 136.41 33.87 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.2 t -136.03 127.39 28.43 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.727 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.07 -132.4 7.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.094 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -76.13 63.78 1.88 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.767 0.318 . . . . 0.0 110.404 179.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.606 ' NZ ' ' HB2' ' A' ' 8' ' ' LYS . 8.0 mtmp? 75.87 56.57 0.05 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.641 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.3 tp -154.15 70.49 0.81 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.489 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 75.8 m -78.67 128.89 34.09 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.316 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -166.33 150.65 7.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.209 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -72.07 114.42 10.15 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.739 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.41 -135.77 0.99 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.714 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.3 t -81.33 124.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.7 m -83.43 121.3 27.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.895 0.379 . . . . 0.0 110.446 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 60.5 m -105.7 123.09 47.37 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.183 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.41 -124.68 3.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.3 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -74.4 62.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.979 0.419 . . . . 0.0 110.251 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.1 31.65 3.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.899 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.7 mt -139.02 106.85 5.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.909 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.7 m -85.32 139.35 31.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.722 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -165.35 166.73 18.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.864 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.9 m -71.79 114.77 10.24 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.97 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.554 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 176.15 -134.09 2.52 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.482 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 38.7 t -78.87 98.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.139 0.495 . . . . 0.0 109.719 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.15 135.18 34.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.826 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.9 t -139.12 127.76 23.21 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.285 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.03 -112.84 3.74 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' LYS . 14.5 t80 -76.82 61.06 1.83 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 22.2 mmmt 73.73 -4.42 2.25 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.735 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 76.7 mt -79.72 72.89 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 0.0 109.741 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 69.0 m -77.95 128.55 34.09 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.837 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -170.6 139.56 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.949 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.482 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.59 -23.78 62.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.082 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 116.56 -0.291 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.6 p30 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.754 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . 76.76 135.74 0.67 Allowed Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.311 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 t -78.69 82.57 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.424 0.63 . . . . 0.0 110.215 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 81.0 m -79.61 88.55 5.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.555 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 1.8 t -79.5 130.53 35.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.928 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.07 -121.41 4.93 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.402 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.58 65.8 2.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 82.68 -23.17 0.21 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.401 1.08 . . . . 0.0 110.819 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 9' ' ' LEU . 2.5 mm? -92.0 118.15 30.51 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.388 0.613 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 75.5 m -87.85 140.93 29.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.149 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p80 -163.5 135.21 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.754 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -71.22 112.46 7.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.308 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.575 -0.284 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -66.42 128.07 29.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.7 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.502 HG12 ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -82.42 83.61 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 0.0 110.175 -179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.3 m -79.23 80.85 5.56 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.748 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.502 ' SG ' HG12 ' A' ' 3' ' ' VAL . 20.4 m -80.6 48.21 1.03 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.487 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.19 -83.76 0.04 OUTLIER Glycine 0 CA--C 1.522 0.5 0 N-CA-C 114.591 0.596 . . . . 0.0 114.591 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -75.82 49.61 0.53 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.885 0.342 . . . . 0.0 111.797 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm 59.36 27.43 16.52 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.448 0.642 . . . . 0.0 110.695 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 91.2 mt -136.69 114.81 11.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.498 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 99.1 m -78.15 124.38 27.98 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.826 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -171.99 149.7 2.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.937 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.564 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.2 m -61.96 -35.51 78.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.402 0.439 . . . . 0.0 111.032 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.571 -0.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.754 0.311 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.24 -49.25 27.36 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.011 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.612 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 28.0 t -80.01 126.06 39.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 72.5 m -113.48 117.17 30.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.946 0.403 . . . . 0.0 110.386 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.722 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 57.9 m -92.63 120.98 33.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.252 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -98.13 -122.72 4.6 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.02 -179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -73.35 61.8 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 122.948 0.499 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm 69.72 36.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.531 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.1 tp -150.48 116.33 5.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.064 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.722 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.8 m -88.88 130.82 35.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.28 0.562 . . . . 0.0 111.124 -179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -153.08 129.62 10.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.612 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.1 m -71.95 109.47 5.8 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.684 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.549 -0.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 . . . . . 0 N--CA 1.483 1.21 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 12' ' ' HYP . . . -67.42 -56.93 10.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.657 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 46.9 t -83.32 131.35 33.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 70.2 m -123.53 129.48 51.26 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.4 m -116.52 43.34 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.071 0.462 . . . . 0.0 110.099 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.57 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.326 -0.852 . . . . 0.0 114.787 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.27 47.7 0.48 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 mttm 56.87 35.1 25.85 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.202 0.525 . . . . 0.0 111.339 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 61.7 tp -146.44 115.28 6.88 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.235 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 87.1 m -79.84 125.26 29.48 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.308 0.575 . . . . 0.0 111.511 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -170.03 145.44 2.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.1 -0.955 . . . . 0.0 108.739 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.478 ' HA ' ' O ' ' A' ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -69.79 -29.42 66.73 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.742 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.522 -0.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 120.623 0.249 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.31 -48.41 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 22.7 m -79.54 141.23 15.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.847 0.356 . . . . 0.0 110.475 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m -86.12 147.31 26.21 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -156.02 137.08 13.66 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.822 -0.751 . . . . 0.0 111.354 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -117.24 -113.52 2.68 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.989 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -77.83 63.1 2.8 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 75.16 -6.99 1.86 Allowed 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.145 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -79.73 71.12 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.528 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.01 127.21 31.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.587 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -178.35 148.09 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 61.9 m -67.49 -39.78 85.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.913 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.537 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 120.606 0.241 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.02 -50.69 0.18 Allowed Glycine 0 CA--C 1.507 -0.446 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.8 t -103.64 129.72 55.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 63.4 m -122.84 127.77 49.5 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 61.0 m -97.24 123.11 40.94 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.732 0.301 . . . . 0.0 110.445 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.48 -126.18 3.55 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.075 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -75.9 66.74 2.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.26 0.552 . . . . 0.0 110.0 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 68.93 31.6 4.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.974 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -139.16 107.71 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.918 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.611 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 81.1 m -87.95 137.05 32.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.849 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -165.54 167.74 17.15 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 m -67.64 -46.67 71.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.911 -178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.197 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.518 0.199 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.93 -61.92 4.02 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.961 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 12' ' ' HYP . 59.8 t -104.37 118.12 51.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.0 m -103.69 88.46 3.07 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.112 0.482 . . . . 0.0 110.373 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 4.7 t -79.81 99.41 7.48 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.22 -114.74 0.55 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.078 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.709 ' O ' ' HG2' ' A' ' 8' ' ' LYS . 30.1 t80 -72.82 69.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.0 110.688 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.709 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 10.5 ptpt 58.05 23.06 9.6 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.685 1.194 . . . . 0.0 111.567 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.0 tp -119.53 95.36 4.75 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.856 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 87.8 m -77.99 126.24 30.54 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.841 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -167.6 155.14 8.72 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HYP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 3' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.9 m -63.75 -46.25 86.15 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.227 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 116.349 -0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_