data_1klr_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 1klr _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.06 162.41 28.83 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.7 t -98.23 149.65 22.35 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -110.0 39.88 2.05 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-O 122.453 1.121 . . . . 0.0 109.377 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.71 -56.38 0.68 Allowed 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 113.086 -1.87 . . . . 0.0 107.25 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -125.09 -160.43 0.95 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -103.55 57.06 0.74 Allowed 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.036 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -109.08 96.69 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.757 -1.565 . . . . 0.0 106.982 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.41 103.93 11.26 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.729 -2.032 . . . . 0.0 107.978 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -115.5 157.84 23.45 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 112.657 -2.065 . . . . 0.0 108.192 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.22 38.96 1.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.295 1.045 . . . . 0.0 108.614 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -138.32 155.46 48.55 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 112.847 -1.979 . . . . 0.0 105.938 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 t -107.64 -48.58 3.39 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -51.74 -35.25 42.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 123.785 0.678 . . . . 0.0 111.204 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -99.36 10.25 41.77 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -108.28 -44.18 4.19 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.83 -47.66 65.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -58.01 -44.86 87.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -49.27 -63.3 1.14 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 124.467 1.104 . . . . 0.0 108.22 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.1 mt -44.14 -46.48 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.85 -50.14 65.63 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.6 m -79.61 -12.69 59.82 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.0 mptp? -113.87 -29.69 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.59 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -128.07 171.63 11.7 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 t -97.52 150.59 20.92 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.102 -2.317 . . . . 0.0 107.115 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -120.02 36.25 4.59 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.238 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -131.83 -53.61 0.99 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.04 -158.03 0.79 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.35 55.65 0.69 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.754 1.264 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 21.2 t80 -103.27 143.06 33.14 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 113.566 -1.652 . . . . 0.0 107.182 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -147.65 134.22 19.83 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.201 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.471 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 55.1 m -148.5 153.6 38.68 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.08 41.87 3.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 8.5 t70 -114.48 -65.45 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 112.708 -2.042 . . . . 0.0 107.926 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.473 ' HG ' ' HZ3' ' A' ' 19' ' ' LYS . 41.5 t 111.13 -54.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 126.035 2.085 . . . . 0.0 106.747 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.474 ' HA ' ' HZ2' ' A' ' 19' ' ' LYS . 9.0 t -60.46 -42.09 95.46 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -68.5 -28.94 67.45 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 124.06 0.85 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.15 -52.98 8.97 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HZ2' ' HA ' ' A' ' 16' ' ' SER . 10.2 ptpp? -61.56 -39.48 91.27 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.714 -1.194 . . . . 0.0 108.387 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.4 m -64.29 -49.3 72.32 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -43.01 -58.23 2.52 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.31 1.006 . . . . 0.0 108.67 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -51.38 -54.52 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -57.13 -20.15 24.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -108.3 -31.04 8.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -29.09 14.91 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 N--CA 1.495 1.8 0 O-C-N 123.667 0.604 . . . . 0.0 109.762 -179.594 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 160.78 21.42 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 39.6 t -92.03 126.86 37.28 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.618 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -95.95 43.62 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.988 1.375 . . . . 0.0 112.269 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.48 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 76.0 m-85 -129.02 -54.68 1.2 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -126.24 -164.24 1.3 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.995 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.25 61.71 0.62 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.679 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 68.0 t80 -117.01 130.6 56.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.067 -1.879 . . . . 0.0 108.674 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -118.13 144.26 45.82 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.679 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 3.1 m -140.11 -24.14 0.82 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 119.054 -1.059 . . . . 0.0 113.56 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 33.46 45.82 0.1 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.706 1.254 . . . . 0.0 114.248 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -126.18 -61.07 1.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.281 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 m 111.97 -65.15 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 126.995 2.684 . . . . 0.0 109.897 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -51.46 -49.35 61.93 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 122.601 1.191 . . . . 0.0 109.974 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.99 -45.99 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.491 -1.686 . . . . 0.0 109.713 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -61.71 -45.65 93.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.6 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -54.99 -53.24 58.27 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -54.72 -53.25 57.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -43.03 -54.15 4.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.528 1.142 . . . . 0.0 109.526 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.3 -46.02 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 C-N-CA 119.74 -0.784 . . . . 0.0 113.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -80.09 1.88 26.19 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -120.0 -36.23 3.32 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.719 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -98.17 -36.55 10.02 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.219 1.007 . . . . 0.0 113.159 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 122.347 1.07 . . . . 0.0 108.863 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -108.43 128.13 54.51 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 51.0 t -31.62 -60.87 0.23 Allowed 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 36.6 tt0 116.67 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 O-C-N 125.808 1.943 . . . . 0.0 108.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -95.29 -55.22 3.13 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 113.911 -1.495 . . . . 0.0 112.982 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -113.25 -165.83 1.03 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 123.688 0.618 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -100.02 50.93 0.91 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.735 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 79.0 t80 -107.85 114.66 28.75 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.595 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.496 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -116.19 127.89 55.16 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.622 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.4 m -132.92 163.74 28.49 Favored 'General case' 0 N--CA 1.5 2.041 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.44 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.15 46.9 2.58 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' SER . 60.1 t0 -122.41 -69.63 0.82 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 43.2 t 115.2 -58.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 O-C-N 126.451 2.344 . . . . 0.0 107.12 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.07 -11.06 7.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 123.88 0.738 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -102.18 -49.15 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.07 -42.85 77.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 20' ' ' THR . 20.4 pttp -59.05 -45.21 91.36 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.164 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 99.8 m -58.39 -51.25 70.59 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -47.17 -56.55 6.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 125.014 1.446 . . . . 0.0 110.59 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.89 -25.33 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -90.78 -6.96 53.67 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -115.12 -37.17 4.18 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 123.816 0.698 . . . . 0.0 111.622 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -93.48 -40.35 10.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 125.059 1.475 . . . . 0.0 111.573 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 123.109 1.433 . . . . 0.0 111.315 -179.491 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -116.47 151.86 35.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.79 166.42 22.06 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -121.48 20.84 11.12 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.867 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.2 -50.76 1.2 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.244 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -119.8 -164.96 1.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.841 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 57.73 0.61 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.989 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 74.7 t80 -110.53 137.88 47.64 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 -143.01 140.03 30.84 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.491 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 3.5 m -143.07 -65.13 0.39 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 12' ' ' SER . . . 118.73 26.73 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.956 0 O-C-N 125.314 1.634 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -121.62 156.14 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -130.08 27.36 5.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.751 0.786 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -127.59 -35.22 2.16 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -100.52 -37.12 8.94 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.354 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.97 -32.49 69.7 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 118.846 -1.142 . . . . 0.0 108.991 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -67.53 -46.04 73.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 m -56.53 -47.05 80.22 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -48.31 -60.81 2.37 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.4 mt -48.26 -46.26 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.01 -13.79 61.3 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.4 m -103.32 -35.67 8.32 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.84 -32.64 11.6 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.391 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.428 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 50.6 m-85 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -123.29 143.37 50.11 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.53 151.61 36.3 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -115.4 38.93 3.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 124.268 0.98 . . . . 0.0 109.134 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -140.96 -57.55 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.76 -137.08 0.36 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.967 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -96.09 -49.42 5.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 123.628 0.58 . . . . 0.0 112.279 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 55.2 t80 -13.69 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 136.36 48.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 104.947 -2.242 . . . . 0.0 104.947 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 7.2 m -148.95 170.98 17.09 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.966 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.31 29.62 7.9 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.057 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -130.23 157.69 41.78 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 t -102.48 -56.41 2.26 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.57 -53.27 7.26 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.701 0.763 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' N ' HD21 ' A' ' 17' ' ' ASN . 1.2 m120 -64.14 -19.7 65.47 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 113.961 -1.472 . . . . 0.0 114.784 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 3' ' ' TYR . 61.7 tp -93.66 -38.79 11.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -62.67 -50.68 70.2 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 m -56.5 -46.02 80.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 106.951 -1.499 . . . . 0.0 106.951 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -48.13 -61.63 1.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 124.836 1.335 . . . . 0.0 107.834 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.4 mt -48.66 -48.41 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.66 -53.85 52.44 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -73.79 -34.06 64.49 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -93.87 -30.37 14.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 N--CA 1.502 2.15 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -179.473 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.538 ' HG2' ' H ' ' A' ' 5' ' ' CYS . 2.5 tt0 -123.16 178.05 5.27 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.287 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.538 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 28.6 t -105.76 153.11 22.33 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -118.24 36.48 4.35 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 124.25 0.969 . . . . 0.0 110.997 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -131.06 -58.71 1.0 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.516 -1.674 . . . . 0.0 106.987 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -118.29 -154.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.788 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 54.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.276 0.985 . . . . 0.0 111.585 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 86.6 t80 -107.99 120.35 42.06 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.063 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.43 134.56 53.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.465 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.8 m -151.56 155.55 38.7 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.2 33.52 3.45 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.626 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.85 162.23 32.97 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.275 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -122.55 65.89 0.95 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 102.626 -3.101 . . . . 0.0 102.626 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t 131.73 117.3 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 1 N-CA-C 95.649 -5.685 . . . . 0.0 95.649 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -88.16 48.58 1.66 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.472 2.767 . . . . 0.0 118.472 0.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.9 tp -99.57 -34.85 10.06 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 101.64 -3.467 . . . . 0.0 101.64 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -75.96 -49.46 17.66 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -54.18 -47.13 72.38 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.548 ' HD1' ' HZ3' ' A' ' 25' ' ' LYS . 64.3 t60 -46.58 -65.8 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.2 mt -47.65 -44.12 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -60.73 -44.71 96.31 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.418 HG23 ' CD ' ' A' ' 25' ' ' LYS . 12.2 t -100.6 1.93 41.25 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HZ3' ' HD1' ' A' ' 21' ' ' HIS . 1.1 mptm? -113.56 -33.6 5.82 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.829 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 N--CA 1.501 2.093 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -179.368 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 101.17 -3.641 . . . . 0.0 101.17 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.483 HE22 ' N ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -108.68 149.26 29.21 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.35 154.78 41.11 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.691 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -107.14 26.12 10.55 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -136.75 -58.48 0.73 Allowed 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.59 -161.6 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.151 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 7.1 mp0 -109.86 57.52 0.61 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.268 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.609 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 54.8 t80 -108.6 120.38 42.26 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -119.09 137.16 53.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.188 0.93 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.609 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 m -134.45 173.92 11.11 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-N 113.421 -1.718 . . . . 0.0 107.43 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.96 26.39 3.29 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 118.463 0.574 . . . . 0.0 110.732 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.5 t70 -113.25 -61.82 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.474 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 26.7 t 117.98 -61.6 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 O-C-N 126.333 2.27 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -54.66 -41.75 70.51 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.99 -52.97 63.48 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 tp -53.95 -46.37 71.58 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -56.77 -51.43 68.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.659 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.4 m -52.16 -50.85 61.0 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -46.23 -57.87 4.18 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.1 mt -49.61 -48.19 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 124.103 0.877 . . . . 0.0 111.85 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -59.02 -36.69 75.38 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -86.58 -39.21 16.39 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.48 -25.34 15.7 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.469 0.652 . . . . 0.0 111.016 -179.625 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.465 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -117.51 157.86 25.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 124.15 0.906 . . . . 0.0 108.855 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 52.7 t -83.88 157.79 21.86 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.703 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.501 ' NE2' ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -118.56 34.75 5.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.086 0.866 . . . . 0.0 108.699 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.82 -54.51 0.72 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.07 -167.42 1.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.557 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -106.02 63.13 0.66 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.656 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -114.0 140.37 48.49 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 112.662 -2.063 . . . . 0.0 107.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -134.78 146.71 49.6 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 m -142.71 162.29 35.85 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.191 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.33 45.62 2.32 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.343 -0.543 . . . . 0.0 112.434 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.7 t70 -130.57 -63.17 0.89 Allowed 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.385 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 48.5 t 122.7 -68.24 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 O-C-N 126.039 2.087 . . . . 0.0 108.553 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -59.58 -31.3 69.32 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -64.9 -50.26 67.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.27 -43.45 87.93 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.61 -54.78 42.01 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -49.35 -50.99 37.46 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -49.06 -59.97 3.18 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.597 1.186 . . . . 0.0 108.579 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -46.5 -36.08 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 123.712 0.632 . . . . 0.0 112.349 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -80.69 -65.93 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.686 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 m -45.7 -41.65 10.77 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -101.51 -31.26 10.96 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 N--CA 1.503 2.213 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -131.6 128.5 39.3 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 t -41.54 -65.81 0.41 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 108.61 1.57 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.792 0 O-C-N 126.309 2.256 . . . . 0.0 112.143 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -119.86 -54.7 2.13 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.09 -169.08 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 68.78 0.81 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 89.7 t80 -114.02 104.37 12.08 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -114.6 117.9 32.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.444 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 50.9 m -127.48 162.75 25.65 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.832 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.2 46.4 2.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.27 -59.29 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.376 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m 32.01 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.726 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.657 ' HG ' ' HG1' ' A' ' 20' ' ' THR . 17.2 m -64.73 165.12 10.92 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 119.411 -2.056 . . . . 0.0 109.058 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -98.5 62.08 1.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 122.381 2.355 . . . . 0.0 116.838 0.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 tp -101.98 -37.33 8.26 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -79.93 -31.74 40.09 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.657 ' HG1' ' HG ' ' A' ' 16' ' ' SER . 42.0 m -85.08 5.36 29.95 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 122.767 1.27 . . . . 0.0 109.556 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ILE . 26.6 t60 -102.04 -65.6 0.97 Allowed 'General case' 0 C--N 1.3 -1.545 1 N-CA-C 99.002 -4.444 . . . . 0.0 99.002 178.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' HIS . 78.9 mt -41.34 -48.03 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -108.16 109.79 21.28 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 t -125.11 68.02 1.12 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 123.694 2.952 . . . . 0.0 118.273 0.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -103.72 -33.5 8.92 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 112.152 -2.295 . . . . 0.0 107.193 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.494 1.773 0 O-C-N 124.351 1.032 . . . . 0.0 109.793 -179.875 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.092 -0.004 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.78 166.45 16.78 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.865 0.728 . . . . 0.0 109.22 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 5.4 t -83.63 -60.65 2.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.155 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 38.2 tt0 120.32 -35.39 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.829 0 O-C-N 125.711 1.882 . . . . 0.0 110.408 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -98.23 -51.96 3.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.712 -1.131 . . . . 0.0 112.879 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.22 -162.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.818 0.818 . . . . 0.0 111.221 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -99.49 55.17 0.97 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.415 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.1 t80 -116.14 92.69 3.97 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 123.318 1.532 . . . . 0.0 107.989 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 110.73 19.57 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 66.4 m -115.95 177.68 4.59 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.684 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.79 41.69 3.09 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.265 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.0 t70 -125.78 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.833 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 19.6 t 110.94 -49.98 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 126.532 1.933 . . . . 0.0 111.166 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.461 ' HG ' ' N ' ' A' ' 17' ' ' ASN . 54.0 p -60.04 -37.99 81.41 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.624 -1.23 . . . . 0.0 108.826 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.461 ' N ' ' HG ' ' A' ' 16' ' ' SER . 25.9 p30 -97.32 22.42 8.73 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.892 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 tp -106.28 -49.5 3.34 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -68.27 -42.38 79.66 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -54.03 -59.77 4.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -51.75 -33.69 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -70.92 -47.44 59.08 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -72.4 -36.84 68.74 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 124.148 0.905 . . . . 0.0 112.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -95.18 -43.7 7.97 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 . . . . . 0 N--CA 1.501 2.096 0 O-C-N 123.571 0.544 . . . . 0.0 112.365 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -123.23 142.87 50.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -76.81 146.48 37.8 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.319 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.25 34.97 3.22 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.155 0.979 . . . . 0.0 111.741 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -133.4 -54.21 0.9 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -124.75 -167.38 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -109.78 64.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.037 1.399 . . . . 0.0 107.496 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.435 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 63.7 t80 -110.62 113.45 26.07 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 112.17 -2.286 . . . . 0.0 108.151 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -119.99 133.02 55.67 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.435 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 54.1 m -141.5 171.14 14.47 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.767 -1.561 . . . . 0.0 108.163 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.19 43.99 1.62 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.45 165.66 25.71 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 113.741 -1.572 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -115.33 -46.98 2.86 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -121.18 114.38 21.33 Favored 'General case' 0 C--N 1.298 -1.656 1 N-CA-C 93.484 -6.487 . . . . 0.0 93.484 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -97.36 51.33 1.09 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 121.424 3.861 . . . . 0.0 121.424 1.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.4 tp -86.33 -39.99 15.91 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.23 -40.18 93.71 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.9 m -62.67 -38.53 90.72 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.431 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 41.0 t60 -56.93 -60.3 3.78 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -40.39 -50.06 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 123.82 0.7 . . . . 0.0 111.112 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.66 -62.86 1.38 Allowed 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 m -54.84 -37.57 66.34 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' A' ' 21' ' ' HIS . 34.6 mmtp -95.61 -38.86 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 124.511 1.132 . . . . 0.0 112.141 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 122.44 1.114 . . . . 0.0 110.021 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.534 HE22 ' N ' ' A' ' 10' ' ' PHE . 46.4 tp60 -118.34 133.01 56.24 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.329 1.061 . . . . 0.0 113.705 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.62 163.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 112.792 -2.004 . . . . 0.0 112.433 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -116.18 21.22 13.84 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.45 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -129.43 -58.32 1.12 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.732 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.98 -160.96 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.47 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -110.15 63.57 0.61 Allowed 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.608 1.194 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.534 ' N ' HE22 ' A' ' 4' ' ' GLN . 34.7 t80 -106.73 128.5 54.27 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -133.86 131.42 39.15 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.832 0.708 . . . . 0.0 110.5 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.466 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.6 m -142.67 158.29 43.8 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.134 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.0 41.91 2.3 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 123.841 0.713 . . . . 0.0 109.228 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -125.23 -42.09 2.02 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.332 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m 5.81 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 p 5.46 -83.53 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.984 2 N-CA-C 130.023 7.045 . . . . 0.0 130.023 0.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -30.89 -57.64 0.22 Allowed 'General case' 0 N--CA 1.53 3.556 0 CA-C-N 123.151 2.705 . . . . 0.0 115.5 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -47.38 -35.47 8.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.13 -46.43 42.55 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.4 m -54.38 -46.14 72.99 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.427 ' ND1' ' HG3' ' A' ' 25' ' ' LYS . 48.6 t60 -49.06 -61.72 1.92 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.58 -41.65 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 123.918 0.762 . . . . 0.0 110.583 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG2' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -64.87 -46.13 83.09 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.929 179.677 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.41 HG23 ' HG2' ' A' ' 23' ' ' LYS . 18.2 p -94.91 8.84 41.44 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HG3' ' ND1' ' A' ' 21' ' ' HIS . 41.7 mmtm -130.49 -42.8 1.16 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 120.519 0.2 . . . . 0.0 111.083 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -179.799 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.525 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 1.9 tm0? -122.11 163.0 20.24 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.525 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 43.5 t -92.0 178.28 5.93 Favored 'General case' 0 N--CA 1.504 2.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.208 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -119.57 -19.41 8.13 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -96.16 -51.17 4.52 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.309 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p -117.55 -163.93 0.96 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 124.189 0.931 . . . . 0.0 109.306 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 53.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -98.69 98.59 9.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -114.82 109.85 18.79 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 111.946 -2.388 . . . . 0.0 104.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -124.7 178.03 5.66 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 113.136 -1.847 . . . . 0.0 111.127 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.34 37.71 3.8 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.751 0.786 . . . . 0.0 109.36 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -133.07 149.1 52.18 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -124.18 13.94 9.02 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.301 0.572 . . . . 0.0 111.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -114.58 -34.96 5.04 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -98.23 16.43 21.4 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.3 tp -106.09 -46.34 4.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.81 -38.91 80.25 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.3 m -64.51 -47.04 80.38 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -43.77 -57.58 3.16 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.47 -53.43 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.863 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -53.97 -30.9 48.88 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -101.91 -28.99 12.09 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -102.02 -15.41 16.79 Favored 'General case' 0 N--CA 1.503 2.186 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -179.714 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -115.94 163.68 15.53 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 124.164 0.915 . . . . 0.0 108.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.37 153.75 19.67 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.722 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -112.74 35.27 3.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.451 1.12 . . . . 0.0 109.468 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -139.59 -57.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.706 -1.588 . . . . 0.0 106.892 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -122.7 -161.07 0.92 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.286 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -107.04 58.9 0.63 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.676 1.226 . . . . 0.0 109.066 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -108.41 104.41 13.75 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -108.89 134.32 51.72 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.864 -1.516 . . . . 0.0 107.164 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.577 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 11.9 m -137.82 160.81 38.26 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.978 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.02 46.46 2.1 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.744 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -126.03 -57.32 1.42 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.6 m 116.58 -63.18 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 O-C-N 126.404 2.315 . . . . 0.0 108.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -54.98 -54.02 48.3 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -50.3 2.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 125.625 1.828 . . . . 0.0 110.164 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.34 -50.33 63.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.866 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -55.51 -48.79 74.06 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -57.21 -52.78 63.93 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.86 -54.86 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.83 -49.59 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.45 -39.68 88.99 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -79.99 -38.61 31.8 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -91.31 -42.28 10.46 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 122.854 0.462 . . . . 0.0 110.977 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 N--CA 1.499 2.001 0 O-C-N 123.962 0.789 . . . . 0.0 109.541 -179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -105.82 154.99 19.75 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.279 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.3 t -102.52 135.92 43.28 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 103.965 -2.605 . . . . 0.0 103.965 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -110.45 41.02 1.84 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.465 1.103 . . . . 0.0 111.142 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -131.85 -53.02 0.99 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -123.1 -158.03 0.77 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 124.47 1.106 . . . . 0.0 108.651 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -106.53 55.89 0.66 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.605 0.716 . . . . 0.0 110.58 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -109.99 119.85 40.61 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.24 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.76 17.6 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -138.88 178.41 7.17 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.726 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.66 39.31 4.0 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.291 0.567 . . . . 0.0 109.767 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.2 85.79 2.2 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.027 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 t -43.64 -53.52 5.66 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.632 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 m -47.22 -42.71 20.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 124.018 0.824 . . . . 0.0 112.208 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -77.23 -46.56 22.79 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.222 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.19 -50.19 50.15 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -58.68 -44.57 90.29 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 87.3 m -61.15 -44.6 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -53.38 -56.99 12.25 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -44.33 -51.66 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 123.953 0.783 . . . . 0.0 111.893 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -62.92 -54.74 33.85 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.69 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 m -51.49 -46.84 63.32 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.9 -32.85 13.74 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 122.968 1.366 . . . . 0.0 108.952 -179.568 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -118.52 150.94 38.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.387 1.055 . . . . 0.0 110.677 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.6 t -84.52 159.16 20.76 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.387 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -117.17 38.32 3.58 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.541 0.686 . . . . 0.0 110.558 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.445 ' CE2' HG21 ' A' ' 22' ' ' ILE . 86.3 m-85 -142.16 -55.82 0.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.645 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.6 p -116.22 -150.14 0.46 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.075 -1.421 . . . . 0.0 110.284 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.92 -32.89 14.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.697 0.623 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 56.0 t80 -19.16 114.46 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 O-C-N 125.308 1.63 . . . . 0.0 114.562 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -128.5 131.41 48.32 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.423 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 26.3 m -146.59 170.5 16.8 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.297 0.998 . . . . 0.0 111.898 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.5 31.2 5.59 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -129.08 81.3 2.02 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.527 ' HG ' ' HZ2' ' A' ' 19' ' ' LYS . 30.0 t -39.7 -52.82 2.25 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.293 0.37 . . . . 0.0 111.73 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m -49.59 -54.61 17.32 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 123.908 0.755 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -57.35 -48.27 79.44 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 tp -54.56 -49.89 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HZ2' ' HG ' ' A' ' 15' ' ' SER . 41.7 mttp -57.45 -50.13 74.01 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 118.015 -1.474 . . . . 0.0 107.438 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -50.25 -56.44 11.12 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -42.7 -59.22 2.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.565 1.166 . . . . 0.0 108.591 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.445 HG21 ' CE2' ' A' ' 7' ' ' TYR . 79.6 mt -53.12 -41.2 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.777 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -84.22 -13.72 51.93 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -108.92 -17.44 13.92 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 117.964 0.347 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.16 -42.04 4.27 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.218 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 124.299 0.999 . . . . 0.0 112.378 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -127.31 151.85 48.21 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.73 163.47 26.12 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.526 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.93 19.63 17.12 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.932 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -137.64 -57.4 0.68 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.609 0.568 . . . . 0.0 111.54 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 19.7 p -108.29 -169.2 1.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.055 0.847 . . . . 0.0 110.403 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.67 59.37 1.25 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.9 t80 -112.19 122.37 47.55 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.815 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.409 ' C ' ' HG ' ' A' ' 12' ' ' SER . 13.0 ptm180 -120.77 146.17 46.79 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 103.498 -2.778 . . . . 0.0 103.498 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.591 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.92 170.17 16.36 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.087 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.22 19.44 17.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.268 0.98 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.88 148.79 50.19 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 23.12 12.46 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.962 0.887 . . . . 0.0 112.65 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -121.96 -41.68 2.43 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -77.32 -48.88 16.25 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.502 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.0 tp -50.48 -37.7 40.02 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 119.907 1.231 . . . . 0.0 112.622 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -70.02 -47.77 60.76 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.6 m -54.57 -44.31 72.84 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.479 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 37.1 t60 -47.23 -60.54 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.8 mt -47.02 -57.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -51.87 -47.98 64.26 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -77.45 -37.42 51.55 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD2' ' CE1' ' A' ' 21' ' ' HIS . 49.9 mttm -94.33 -30.1 14.69 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 121.629 0.728 . . . . 0.0 112.923 -179.634 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 101.996 -3.335 . . . . 0.0 101.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -118.59 157.0 28.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.374 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.53 168.92 17.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.099 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -121.18 15.16 11.44 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 123.403 0.439 . . . . 0.0 111.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -125.12 -55.5 1.57 Allowed 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.97 -170.29 1.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.464 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.4 67.03 0.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 123.575 1.655 . . . . 0.0 110.252 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.4 t80 -114.75 112.2 22.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 111.68 -2.509 . . . . 0.0 106.959 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.486 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -111.01 136.4 50.07 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.58 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -138.0 178.1 7.38 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.423 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.69 16.92 14.47 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -129.83 163.14 26.93 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.302 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 t -126.52 34.65 4.77 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 122.2 1.0 . . . . 0.0 112.009 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -132.6 -47.78 0.89 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -69.16 -41.15 77.62 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.33 -21.49 65.65 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 123.511 0.507 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -79.84 -51.21 9.42 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 m -52.45 -49.52 64.47 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -40.13 -60.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.617 1.198 . . . . 0.0 107.871 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.22 -56.13 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 123.759 0.662 . . . . 0.0 112.136 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -49.45 -36.02 21.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.582 ' HG1' ' HZ1' ' A' ' 25' ' ' LYS . 8.7 t -100.13 -29.36 12.54 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HZ1' ' HG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -95.92 -22.03 17.68 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.84 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -118.25 138.76 52.13 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -61.21 163.11 6.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -116.16 28.51 8.55 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -137.99 -58.38 0.66 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.9 p -116.3 -166.72 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.88 62.19 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.438 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 93.2 t80 -111.66 117.14 32.09 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 113.004 -1.907 . . . . 0.0 106.696 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.52 122.22 42.14 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 124.549 1.156 . . . . 0.0 107.886 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.454 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 69.7 m -142.15 169.66 17.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 123.649 0.593 . . . . 0.0 111.195 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.19 36.96 4.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -130.17 155.96 45.37 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.697 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -123.99 18.7 9.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.727 0.642 . . . . 0.0 111.046 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HG ' ' N ' ' A' ' 17' ' ' ASN . 93.8 p -120.85 -33.5 3.75 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' N ' ' HG ' ' A' ' 16' ' ' SER . 49.4 t30 -105.61 7.88 32.97 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.8 tp -104.82 -40.4 5.97 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 10.9 mptt -70.56 -38.39 74.12 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 104.775 -2.305 . . . . 0.0 104.775 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -68.51 -45.08 73.25 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -45.82 -61.49 1.7 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.4 mt -49.38 -58.49 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.73 -44.81 38.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.616 ' HG1' ' HZ3' ' A' ' 25' ' ' LYS . 67.0 p -85.19 -37.24 20.36 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' HZ3' ' HG1' ' A' ' 24' ' ' THR . 48.5 mmtm -82.74 -30.34 29.1 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 123.653 0.596 . . . . 0.0 111.035 -179.583 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.508 HE22 ' N ' ' A' ' 10' ' ' PHE . 48.0 tp60 -117.39 138.03 52.08 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 124.441 1.088 . . . . 0.0 108.623 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -58.44 158.25 7.74 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.27 28.51 8.44 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 123.964 0.79 . . . . 0.0 110.583 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -133.53 -57.59 0.89 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -119.56 -162.65 0.93 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.282 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -114.33 65.01 0.66 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.97 1.367 . . . . 0.0 110.28 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 34.9 t80 -103.1 124.7 49.05 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.75 132.93 56.15 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 123.758 0.661 . . . . 0.0 110.961 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.524 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.1 m -145.63 169.4 18.51 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.072 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.29 44.26 2.71 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.3 t70 -112.68 -65.29 1.2 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.339 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.3 t 108.19 -65.43 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 125.84 1.962 . . . . 0.0 107.103 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -51.3 -43.79 61.75 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.762 0.791 . . . . 0.0 109.794 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -82.42 -12.21 58.04 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.131 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.85 -42.49 24.17 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 101.518 -3.512 . . . . 0.0 101.518 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.49 -45.6 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 m -52.74 -56.83 12.79 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -42.22 -57.97 2.33 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.12 -49.89 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.09 -32.41 72.96 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -93.02 -29.42 15.83 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -101.93 -27.04 13.2 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -179.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -179.423 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.978 0.418 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -120.87 159.51 25.35 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.523 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 t -93.29 144.6 25.15 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -107.35 32.84 4.36 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 124.413 1.071 . . . . 0.0 109.199 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -134.09 -57.73 0.86 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -118.73 -162.72 0.91 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.534 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.81 58.93 0.73 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.335 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.497 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 89.5 t80 -109.47 125.04 52.03 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -129.61 130.6 45.86 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.497 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.4 m -146.34 171.78 14.49 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.662 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.31 47.79 1.94 Allowed 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.749 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' SER . 64.6 t0 -125.19 -72.92 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.481 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.5 t 108.79 -48.31 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 t -60.9 -32.83 72.29 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -105.95 21.26 17.61 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 121.883 0.849 . . . . 0.0 110.304 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.11 -41.38 4.94 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.102 -3.295 . . . . 0.0 102.102 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -75.08 -20.75 59.36 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.6 m -90.18 -4.71 57.08 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 122.224 1.011 . . . . 0.0 108.296 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.33 -67.25 0.86 Allowed 'General case' 0 C--N 1.301 -1.541 1 N-CA-C 97.858 -4.868 . . . . 0.0 97.858 178.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -39.35 -50.37 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -107.47 106.43 16.83 Favored 'General case' 0 N--CA 1.489 1.512 1 N-CA-C 100.094 -4.039 . . . . 0.0 100.094 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -119.17 66.83 0.79 Allowed 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 120.912 3.671 . . . . 0.0 120.912 0.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -100.71 -34.17 9.96 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 112.718 -2.037 . . . . 0.0 108.265 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 124.081 0.863 . . . . 0.0 110.314 -179.852 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -117.35 139.51 50.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.778 1.299 . . . . 0.0 110.912 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.36 150.12 47.65 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.208 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -109.38 28.01 8.96 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.98 0.8 . . . . 0.0 110.474 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -128.2 -54.73 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.31 -162.88 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.403 -1.271 . . . . 0.0 107.796 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -108.7 61.41 0.6 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.384 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.518 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 31.3 t80 -106.23 128.85 54.25 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.188 -1.824 . . . . 0.0 106.252 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.74 132.6 47.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 123.972 0.795 . . . . 0.0 109.564 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.518 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 60.7 m -144.59 153.88 42.25 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.79 45.91 1.75 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.615 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.9 t70 -120.33 -59.67 1.75 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.43 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 34.3 t 113.33 -53.14 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.215 0 O-C-N 126.34 2.275 . . . . 0.0 105.462 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -58.26 -51.47 69.63 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -51.9 -46.24 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.008 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.5 tp -64.55 -52.07 59.56 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -57.74 -47.95 81.0 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -57.94 -45.88 85.93 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -51.56 -56.73 11.85 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -47.86 -46.67 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -69.78 -44.1 70.82 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -68.24 -38.56 81.95 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -102.41 -37.8 7.87 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 N--CA 1.505 2.301 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -179.246 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -124.0 157.94 33.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.088 0.868 . . . . 0.0 109.841 -179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.5 t -81.69 162.32 23.05 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.328 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -124.11 40.59 3.7 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 122.428 1.109 . . . . 0.0 109.736 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -140.36 -53.88 0.51 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 113.526 -1.67 . . . . 0.0 106.516 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -120.74 -164.1 1.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.416 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -109.34 59.8 0.6 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.716 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.44 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.4 t80 -105.52 125.89 51.5 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 112.868 -1.969 . . . . 0.0 107.265 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -128.51 129.74 46.49 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.692 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.44 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 39.9 m -142.99 161.61 37.67 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.369 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.01 22.84 15.36 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.206 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.79 159.38 24.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.3 t -110.64 -53.56 2.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.0 m -52.68 -38.0 59.77 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.662 0.601 . . . . 0.0 111.005 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -91.73 6.04 47.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.1 tp -106.15 -45.69 4.26 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -63.93 -37.96 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m -65.97 -46.65 77.29 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -46.89 -56.23 6.69 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.45 -36.33 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -92.12 3.56 55.04 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -120.15 -38.04 2.98 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -94.53 -35.8 12.12 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.771 1.229 . . . . 0.0 110.714 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 122.317 1.056 . . . . 0.0 110.728 -179.888 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.436 HE22 ' N ' ' A' ' 10' ' ' PHE . 53.2 tp60 -121.58 138.99 54.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.236 0.96 . . . . 0.0 111.62 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 50.5 t -65.48 146.17 55.21 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.695 -1.139 . . . . 0.0 108.609 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -107.84 36.95 2.57 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.438 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 86.5 m-85 -136.51 -56.45 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.671 -1.604 . . . . 0.0 107.738 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.44 -165.0 1.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 59.07 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 122.832 1.301 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 70.5 t80 -110.57 126.67 54.68 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 112.873 -1.967 . . . . 0.0 106.232 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -121.36 141.21 51.17 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.638 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.5 m -140.3 159.25 42.61 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.12 48.65 1.45 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.167 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 12.7 t70 -130.68 -64.84 0.82 Allowed 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.945 179.622 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 47.4 t 117.97 -66.95 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 126.891 2.076 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -58.8 -27.46 65.07 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.146 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.46 -40.69 57.15 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.5 tp -60.42 -49.63 76.8 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.983 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -55.69 -45.47 77.8 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 m -56.07 -55.3 34.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -40.35 -58.11 1.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -49.27 -53.27 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.42 -21.26 66.21 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -179.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -109.46 -12.31 14.72 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -107.02 -34.52 7.15 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.529 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.5 pttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.77 0.795 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.574 ' HG1' ' H ' ' A' ' 3' ' ' TYR . 10.1 t -120.23 -171.2 2.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' H ' ' HG1' ' A' ' 2' ' ' THR . 55.0 m-85 -118.98 159.94 22.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.06 162.41 28.83 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.7 t -98.23 149.65 22.35 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -110.0 39.88 2.05 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-O 122.453 1.121 . . . . 0.0 109.377 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.71 -56.38 0.68 Allowed 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 113.086 -1.87 . . . . 0.0 107.25 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -125.09 -160.43 0.95 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -103.55 57.06 0.74 Allowed 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.036 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -109.08 96.69 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.757 -1.565 . . . . 0.0 106.982 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.41 103.93 11.26 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.729 -2.032 . . . . 0.0 107.978 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -115.5 157.84 23.45 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 112.657 -2.065 . . . . 0.0 108.192 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.22 38.96 1.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.295 1.045 . . . . 0.0 108.614 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -138.32 155.46 48.55 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 112.847 -1.979 . . . . 0.0 105.938 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 t -107.64 -48.58 3.39 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -51.74 -35.25 42.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 123.785 0.678 . . . . 0.0 111.204 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -99.36 10.25 41.77 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -108.28 -44.18 4.19 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.83 -47.66 65.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -58.01 -44.86 87.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -49.27 -63.3 1.14 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 124.467 1.104 . . . . 0.0 108.22 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.1 mt -44.14 -46.48 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.85 -50.14 65.63 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.6 m -79.61 -12.69 59.82 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.0 mptp? -113.87 -29.69 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -116.22 -51.59 2.62 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -113.66 84.45 2.02 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.52 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -98.97 -103.18 0.22 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.028 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.27 76.63 1.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.07 0 CA-C-O 122.527 1.156 . . . . 0.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -123.09 -171.55 2.32 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -120.57 135.26 55.14 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -128.07 171.63 11.7 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 t -97.52 150.59 20.92 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.102 -2.317 . . . . 0.0 107.115 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -120.02 36.25 4.59 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.238 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -131.83 -53.61 0.99 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.04 -158.03 0.79 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.35 55.65 0.69 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.754 1.264 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 21.2 t80 -103.27 143.06 33.14 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 113.566 -1.652 . . . . 0.0 107.182 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -147.65 134.22 19.83 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.201 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.471 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 55.1 m -148.5 153.6 38.68 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.08 41.87 3.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 8.5 t70 -114.48 -65.45 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 112.708 -2.042 . . . . 0.0 107.926 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.473 ' HG ' ' HZ3' ' A' ' 19' ' ' LYS . 41.5 t 111.13 -54.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 126.035 2.085 . . . . 0.0 106.747 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.474 ' HA ' ' HZ2' ' A' ' 19' ' ' LYS . 9.0 t -60.46 -42.09 95.46 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -68.5 -28.94 67.45 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 124.06 0.85 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.15 -52.98 8.97 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HZ2' ' HA ' ' A' ' 16' ' ' SER . 10.2 ptpp? -61.56 -39.48 91.27 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.714 -1.194 . . . . 0.0 108.387 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.4 m -64.29 -49.3 72.32 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -43.01 -58.23 2.52 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.31 1.006 . . . . 0.0 108.67 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -51.38 -54.52 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -57.13 -20.15 24.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -108.3 -31.04 8.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -29.09 14.91 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -120.39 44.42 2.46 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 123.667 0.604 . . . . 0.0 109.762 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 p -133.86 60.2 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 109.19 -58.66 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.865 0 C-N-CA 126.515 1.926 . . . . 0.0 108.072 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 12.59 66.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 126.402 2.314 . . . . 0.0 114.985 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 122.157 0.979 . . . . 0.0 109.754 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -110.27 164.57 12.53 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 113.475 0.916 . . . . 0.0 113.475 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -125.05 131.51 53.34 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 160.78 21.42 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 39.6 t -92.03 126.86 37.28 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.618 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -95.95 43.62 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.988 1.375 . . . . 0.0 112.269 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.48 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 76.0 m-85 -129.02 -54.68 1.2 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -126.24 -164.24 1.3 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.995 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.25 61.71 0.62 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.679 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 68.0 t80 -117.01 130.6 56.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.067 -1.879 . . . . 0.0 108.674 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -118.13 144.26 45.82 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.679 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 3.1 m -140.11 -24.14 0.82 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 119.054 -1.059 . . . . 0.0 113.56 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 33.46 45.82 0.1 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.706 1.254 . . . . 0.0 114.248 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -126.18 -61.07 1.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.281 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 m 111.97 -65.15 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 126.995 2.684 . . . . 0.0 109.897 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -51.46 -49.35 61.93 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 122.601 1.191 . . . . 0.0 109.974 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.99 -45.99 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.491 -1.686 . . . . 0.0 109.713 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -61.71 -45.65 93.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.6 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -54.99 -53.24 58.27 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -54.72 -53.25 57.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -43.03 -54.15 4.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.528 1.142 . . . . 0.0 109.526 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.3 -46.02 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 C-N-CA 119.74 -0.784 . . . . 0.0 113.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -80.09 1.88 26.19 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -120.0 -36.23 3.32 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.719 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -98.17 -36.55 10.02 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.219 1.007 . . . . 0.0 113.159 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -110.61 41.19 1.83 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 122.347 1.07 . . . . 0.0 108.863 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -140.48 -176.65 4.71 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 112.746 -2.025 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' ' HZ3' ' A' ' 28' ' ' LYS . 6.5 mtmp? 8.88 72.66 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 125.794 1.934 . . . . 0.0 115.773 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.07 160.67 27.21 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.508 2.474 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.723 0.773 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p -123.8 167.98 13.34 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.668 -1.605 . . . . 0.0 107.718 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.08 137.25 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -108.43 128.13 54.51 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 51.0 t -31.62 -60.87 0.23 Allowed 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 36.6 tt0 116.67 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 O-C-N 125.808 1.943 . . . . 0.0 108.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -95.29 -55.22 3.13 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 113.911 -1.495 . . . . 0.0 112.982 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -113.25 -165.83 1.03 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 123.688 0.618 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -100.02 50.93 0.91 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.735 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 79.0 t80 -107.85 114.66 28.75 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.595 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.496 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -116.19 127.89 55.16 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.622 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.4 m -132.92 163.74 28.49 Favored 'General case' 0 N--CA 1.5 2.041 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.44 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.15 46.9 2.58 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' SER . 60.1 t0 -122.41 -69.63 0.82 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 43.2 t 115.2 -58.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 O-C-N 126.451 2.344 . . . . 0.0 107.12 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.07 -11.06 7.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 123.88 0.738 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -102.18 -49.15 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.07 -42.85 77.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 20' ' ' THR . 20.4 pttp -59.05 -45.21 91.36 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.164 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 99.8 m -58.39 -51.25 70.59 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -47.17 -56.55 6.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 125.014 1.446 . . . . 0.0 110.59 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.89 -25.33 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -90.78 -6.96 53.67 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -115.12 -37.17 4.18 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 123.816 0.698 . . . . 0.0 111.622 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -93.48 -40.35 10.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 125.059 1.475 . . . . 0.0 111.573 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -111.18 47.61 0.99 Allowed 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 123.109 1.433 . . . . 0.0 111.315 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.543 ' HG ' ' H ' ' A' ' 28' ' ' LYS . 32.5 t -133.9 -171.46 2.74 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 111.356 -2.656 . . . . 0.0 104.068 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' H ' ' HG ' ' A' ' 27' ' ' SER . 21.0 pttp 8.6 70.39 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -108.26 -29.24 9.0 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.656 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 N--CA 1.499 2.014 0 O-C-N 124.423 1.077 . . . . 0.0 109.86 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.4 pttp . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.7 p -121.76 179.64 4.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.085 0.865 . . . . 0.0 110.061 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -117.06 137.3 52.35 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -116.47 151.86 35.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.79 166.42 22.06 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -121.48 20.84 11.12 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.867 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.2 -50.76 1.2 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.244 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -119.8 -164.96 1.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.841 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 57.73 0.61 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.989 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 74.7 t80 -110.53 137.88 47.64 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 -143.01 140.03 30.84 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.491 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 3.5 m -143.07 -65.13 0.39 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 12' ' ' SER . . . 118.73 26.73 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.956 0 O-C-N 125.314 1.634 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -121.62 156.14 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -130.08 27.36 5.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.751 0.786 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -127.59 -35.22 2.16 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -100.52 -37.12 8.94 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.354 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.7 tp -58.97 -32.49 69.7 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 118.846 -1.142 . . . . 0.0 108.991 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -67.53 -46.04 73.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 m -56.53 -47.05 80.22 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -48.31 -60.81 2.37 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.4 mt -48.26 -46.26 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.01 -13.79 61.3 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.4 m -103.32 -35.67 8.32 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.84 -32.64 11.6 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.73 23.14 11.9 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.6 t -137.52 -57.05 0.69 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -121.31 46.23 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HG2' ' HZ2' ' A' ' 30' ' ' LYS . 27.6 tt0 -7.97 -65.62 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 112.934 -1.939 . . . . 0.0 115.968 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' HZ2' ' HG2' ' A' ' 29' ' ' GLU . 48.4 mmtm . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 122.471 1.129 . . . . 0.0 109.122 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.5 p -93.76 159.83 15.03 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.346 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.428 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 50.6 m-85 -127.38 145.24 50.88 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.216 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -123.29 143.37 50.11 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.53 151.61 36.3 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -115.4 38.93 3.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 124.268 0.98 . . . . 0.0 109.134 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -140.96 -57.55 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.76 -137.08 0.36 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.967 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -96.09 -49.42 5.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 123.628 0.58 . . . . 0.0 112.279 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 55.2 t80 -13.69 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 136.36 48.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 104.947 -2.242 . . . . 0.0 104.947 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.404 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 7.2 m -148.95 170.98 17.09 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.966 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.31 29.62 7.9 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.057 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -130.23 157.69 41.78 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 t -102.48 -56.41 2.26 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.57 -53.27 7.26 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.701 0.763 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' N ' HD21 ' A' ' 17' ' ' ASN . 1.2 m120 -64.14 -19.7 65.47 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 113.961 -1.472 . . . . 0.0 114.784 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' A' ' 3' ' ' TYR . 61.7 tp -93.66 -38.79 11.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -62.67 -50.68 70.2 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 m -56.5 -46.02 80.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 106.951 -1.499 . . . . 0.0 106.951 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -48.13 -61.63 1.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 124.836 1.335 . . . . 0.0 107.834 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.4 mt -48.66 -48.41 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.66 -53.85 52.44 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -73.79 -34.06 64.49 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -93.87 -30.37 14.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -121.58 -73.55 0.64 Allowed 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -33.22 -56.9 0.41 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 48.62 61.41 3.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 125.001 1.438 . . . . 0.0 111.284 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 11.9 pt-20 -118.32 -43.1 2.74 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.686 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 22.5 ttmm . . . . . 0 N--CA 1.509 2.513 0 C-N-CA 126.965 2.106 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.3 m -125.38 171.89 10.07 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.359 -1.291 . . . . 0.0 108.921 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.35 151.53 42.41 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.538 ' HG2' ' H ' ' A' ' 5' ' ' CYS . 2.5 tt0 -123.16 178.05 5.27 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.287 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.538 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 28.6 t -105.76 153.11 22.33 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -118.24 36.48 4.35 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 124.25 0.969 . . . . 0.0 110.997 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -131.06 -58.71 1.0 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.516 -1.674 . . . . 0.0 106.987 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -118.29 -154.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.788 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 54.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.276 0.985 . . . . 0.0 111.585 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 86.6 t80 -107.99 120.35 42.06 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.063 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.43 134.56 53.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.465 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.8 m -151.56 155.55 38.7 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.2 33.52 3.45 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.626 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.85 162.23 32.97 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.275 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -122.55 65.89 0.95 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 102.626 -3.101 . . . . 0.0 102.626 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t 131.73 117.3 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 1 N-CA-C 95.649 -5.685 . . . . 0.0 95.649 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -88.16 48.58 1.66 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.472 2.767 . . . . 0.0 118.472 0.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.9 tp -99.57 -34.85 10.06 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 101.64 -3.467 . . . . 0.0 101.64 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -75.96 -49.46 17.66 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -54.18 -47.13 72.38 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.548 ' HD1' ' HZ3' ' A' ' 25' ' ' LYS . 64.3 t60 -46.58 -65.8 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.2 mt -47.65 -44.12 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -60.73 -44.71 96.31 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.418 HG23 ' CD ' ' A' ' 25' ' ' LYS . 12.2 t -100.6 1.93 41.25 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HZ3' ' HD1' ' A' ' 21' ' ' HIS . 1.1 mptm? -113.56 -33.6 5.82 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.829 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -123.12 -52.0 1.87 Allowed 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -115.6 -146.71 0.41 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 124.414 1.071 . . . . 0.0 110.148 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 29' ' ' GLU . 0.5 OUTLIER 6.7 64.7 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.487 1.915 . . . . 0.0 115.735 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 tm-20 104.62 115.51 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 126.384 1.874 . . . . 0.0 106.314 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 122.324 1.059 . . . . 0.0 109.355 -179.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.475 ' HG1' ' H ' ' A' ' 3' ' ' TYR . 3.5 t -130.66 166.3 20.99 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.992 1.377 . . . . 0.0 111.183 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.475 ' H ' ' HG1' ' A' ' 2' ' ' THR . 47.7 m-85 -123.96 122.98 39.38 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 101.17 -3.641 . . . . 0.0 101.17 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.483 HE22 ' N ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -108.68 149.26 29.21 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.35 154.78 41.11 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.691 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -107.14 26.12 10.55 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -136.75 -58.48 0.73 Allowed 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.59 -161.6 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.151 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 7.1 mp0 -109.86 57.52 0.61 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.268 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.609 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 54.8 t80 -108.6 120.38 42.26 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -119.09 137.16 53.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.188 0.93 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.609 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 m -134.45 173.92 11.11 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-N 113.421 -1.718 . . . . 0.0 107.43 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.96 26.39 3.29 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 118.463 0.574 . . . . 0.0 110.732 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.5 t70 -113.25 -61.82 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.474 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 26.7 t 117.98 -61.6 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 O-C-N 126.333 2.27 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -54.66 -41.75 70.51 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.99 -52.97 63.48 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 tp -53.95 -46.37 71.58 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -56.77 -51.43 68.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.659 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.4 m -52.16 -50.85 61.0 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -46.23 -57.87 4.18 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.1 mt -49.61 -48.19 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 124.103 0.877 . . . . 0.0 111.85 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -59.02 -36.69 75.38 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -86.58 -39.21 16.39 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.48 -25.34 15.7 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -123.05 72.21 1.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.469 0.652 . . . . 0.0 111.016 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 m -95.99 3.11 53.73 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -116.7 47.83 1.39 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 106.862 -1.532 . . . . 0.0 106.862 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -124.79 -11.74 7.17 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 3.2 mptp? . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 122.221 1.01 . . . . 0.0 109.745 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p -122.81 174.53 7.08 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.48 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.71 151.91 35.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.465 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -117.51 157.86 25.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 124.15 0.906 . . . . 0.0 108.855 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 52.7 t -83.88 157.79 21.86 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.703 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' NE2' ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -118.56 34.75 5.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.086 0.866 . . . . 0.0 108.699 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.82 -54.51 0.72 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.07 -167.42 1.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.557 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -106.02 63.13 0.66 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.656 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -114.0 140.37 48.49 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 112.662 -2.063 . . . . 0.0 107.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -134.78 146.71 49.6 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 m -142.71 162.29 35.85 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.191 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.33 45.62 2.32 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.343 -0.543 . . . . 0.0 112.434 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.7 t70 -130.57 -63.17 0.89 Allowed 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.385 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 48.5 t 122.7 -68.24 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 O-C-N 126.039 2.087 . . . . 0.0 108.553 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -59.58 -31.3 69.32 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -64.9 -50.26 67.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.27 -43.45 87.93 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.61 -54.78 42.01 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -49.35 -50.99 37.46 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -49.06 -59.97 3.18 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.597 1.186 . . . . 0.0 108.579 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -46.5 -36.08 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 123.712 0.632 . . . . 0.0 112.349 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -80.69 -65.93 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.686 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 m -45.7 -41.65 10.77 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -101.51 -31.26 10.96 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.47 -69.87 0.82 Allowed 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.507 ' HG ' ' H ' ' A' ' 28' ' ' LYS . 59.1 p -37.39 -44.75 0.65 Allowed 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.507 ' H ' ' HG ' ' A' ' 27' ' ' SER . 20.6 pttm -30.41 -42.77 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 125.405 1.691 . . . . 0.0 113.895 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -121.55 59.68 0.96 Allowed 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 113.538 -1.665 . . . . 0.0 107.692 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 117.557 2.428 . . . . 0.0 117.557 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 119.307 -0.377 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.4 p -94.28 141.65 28.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.388 1.09 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -115.92 168.57 9.95 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 112.324 -2.216 . . . . 0.0 106.605 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -131.6 128.5 39.3 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 t -41.54 -65.81 0.41 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 108.61 1.57 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.792 0 O-C-N 126.309 2.256 . . . . 0.0 112.143 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -119.86 -54.7 2.13 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.5 p -115.09 -169.08 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 68.78 0.81 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 89.7 t80 -114.02 104.37 12.08 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -114.6 117.9 32.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.444 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 50.9 m -127.48 162.75 25.65 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.832 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.2 46.4 2.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.27 -59.29 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.376 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m 32.01 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.726 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.657 ' HG ' ' HG1' ' A' ' 20' ' ' THR . 17.2 m -64.73 165.12 10.92 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 119.411 -2.056 . . . . 0.0 109.058 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -98.5 62.08 1.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 122.381 2.355 . . . . 0.0 116.838 0.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 tp -101.98 -37.33 8.26 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -79.93 -31.74 40.09 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.657 ' HG1' ' HG ' ' A' ' 16' ' ' SER . 42.0 m -85.08 5.36 29.95 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 122.767 1.27 . . . . 0.0 109.556 179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' ILE . 26.6 t60 -102.04 -65.6 0.97 Allowed 'General case' 0 C--N 1.3 -1.545 1 N-CA-C 99.002 -4.444 . . . . 0.0 99.002 178.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' HIS . 78.9 mt -41.34 -48.03 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -108.16 109.79 21.28 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 t -125.11 68.02 1.12 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 123.694 2.952 . . . . 0.0 118.273 0.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -103.72 -33.5 8.92 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 112.152 -2.295 . . . . 0.0 107.193 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.92 -50.24 2.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.351 1.032 . . . . 0.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -120.65 83.7 2.11 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.879 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.487 ' HD3' ' H ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -101.3 -157.54 0.62 Allowed 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.804 2.042 . . . . 0.0 109.819 0.477 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -118.71 99.53 6.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.487 0.492 . . . . 0.0 111.249 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 tttm . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 122.419 1.104 . . . . 0.0 108.065 179.487 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p -137.58 118.71 14.46 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -130.82 171.24 13.37 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.78 166.45 16.78 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.865 0.728 . . . . 0.0 109.22 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 5.4 t -83.63 -60.65 2.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.155 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 38.2 tt0 120.32 -35.39 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.829 0 O-C-N 125.711 1.882 . . . . 0.0 110.408 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -98.23 -51.96 3.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.712 -1.131 . . . . 0.0 112.879 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.22 -162.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.818 0.818 . . . . 0.0 111.221 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -99.49 55.17 0.97 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.1 t80 -116.14 92.69 3.97 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 123.318 1.532 . . . . 0.0 107.989 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.67 110.73 19.57 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 66.4 m -115.95 177.68 4.59 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.684 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.79 41.69 3.09 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.265 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.0 t70 -125.78 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.833 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 19.6 t 110.94 -49.98 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 126.532 1.933 . . . . 0.0 111.166 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.461 ' HG ' ' N ' ' A' ' 17' ' ' ASN . 54.0 p -60.04 -37.99 81.41 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.624 -1.23 . . . . 0.0 108.826 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' N ' ' HG ' ' A' ' 16' ' ' SER . 25.9 p30 -97.32 22.42 8.73 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.892 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 tp -106.28 -49.5 3.34 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -68.27 -42.38 79.66 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -54.03 -59.77 4.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -51.75 -33.69 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -70.92 -47.44 59.08 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -72.4 -36.84 68.74 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 124.148 0.905 . . . . 0.0 112.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -95.18 -43.7 7.97 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -114.97 38.21 3.24 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 123.571 0.544 . . . . 0.0 112.365 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t 56.16 170.7 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HZ1' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.19 -173.1 3.33 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.878 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -105.96 160.75 15.04 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.409 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.299 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.3 tptm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.7 p -96.33 144.24 26.67 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.8 155.58 39.16 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.64 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -123.23 142.87 50.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -76.81 146.48 37.8 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.319 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.25 34.97 3.22 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.155 0.979 . . . . 0.0 111.741 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -133.4 -54.21 0.9 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -124.75 -167.38 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -109.78 64.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.037 1.399 . . . . 0.0 107.496 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 63.7 t80 -110.62 113.45 26.07 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 112.17 -2.286 . . . . 0.0 108.151 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -119.99 133.02 55.67 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.435 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 54.1 m -141.5 171.14 14.47 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.767 -1.561 . . . . 0.0 108.163 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.19 43.99 1.62 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.45 165.66 25.71 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 113.741 -1.572 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -115.33 -46.98 2.86 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -121.18 114.38 21.33 Favored 'General case' 0 C--N 1.298 -1.656 1 N-CA-C 93.484 -6.487 . . . . 0.0 93.484 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -97.36 51.33 1.09 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 121.424 3.861 . . . . 0.0 121.424 1.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.4 tp -86.33 -39.99 15.91 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.23 -40.18 93.71 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.9 m -62.67 -38.53 90.72 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.431 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 41.0 t60 -56.93 -60.3 3.78 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -40.39 -50.06 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 123.82 0.7 . . . . 0.0 111.112 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.66 -62.86 1.38 Allowed 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 m -54.84 -37.57 66.34 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' HG3' ' CE1' ' A' ' 21' ' ' HIS . 34.6 mmtp -95.61 -38.86 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 124.511 1.132 . . . . 0.0 112.141 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -115.27 70.48 0.74 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.44 1.114 . . . . 0.0 110.021 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.1 p -92.14 -170.27 2.48 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.402 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -116.25 -53.79 2.51 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.478 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -119.39 66.72 0.8 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 122.518 1.151 . . . . 0.0 109.066 179.634 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.7 p -114.68 175.56 5.43 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 124.261 0.976 . . . . 0.0 113.175 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -115.54 151.23 35.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.534 HE22 ' N ' ' A' ' 10' ' ' PHE . 46.4 tp60 -118.34 133.01 56.24 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.329 1.061 . . . . 0.0 113.705 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.62 163.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 112.792 -2.004 . . . . 0.0 112.433 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -116.18 21.22 13.84 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.45 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -129.43 -58.32 1.12 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.732 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.98 -160.96 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.47 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -110.15 63.57 0.61 Allowed 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.608 1.194 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.534 ' N ' HE22 ' A' ' 4' ' ' GLN . 34.7 t80 -106.73 128.5 54.27 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -133.86 131.42 39.15 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.832 0.708 . . . . 0.0 110.5 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.466 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.6 m -142.67 158.29 43.8 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.134 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.0 41.91 2.3 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 123.841 0.713 . . . . 0.0 109.228 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -125.23 -42.09 2.02 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.332 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m 5.81 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 p 5.46 -83.53 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.984 2 N-CA-C 130.023 7.045 . . . . 0.0 130.023 0.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -30.89 -57.64 0.22 Allowed 'General case' 0 N--CA 1.53 3.556 0 CA-C-N 123.151 2.705 . . . . 0.0 115.5 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -47.38 -35.47 8.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.13 -46.43 42.55 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.4 m -54.38 -46.14 72.99 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.427 ' ND1' ' HG3' ' A' ' 25' ' ' LYS . 48.6 t60 -49.06 -61.72 1.92 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.58 -41.65 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 123.918 0.762 . . . . 0.0 110.583 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HG2' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -64.87 -46.13 83.09 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.929 179.677 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.41 HG23 ' HG2' ' A' ' 23' ' ' LYS . 18.2 p -94.91 8.84 41.44 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HG3' ' ND1' ' A' ' 21' ' ' HIS . 41.7 mmtm -130.49 -42.8 1.16 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 120.519 0.2 . . . . 0.0 111.083 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -122.15 56.35 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -36.69 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -121.89 70.14 0.95 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.712 0.768 . . . . 0.0 109.126 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 65.12 -169.84 0.2 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.482 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm . . . . . 0 N--CA 1.512 2.672 0 O-C-N 125.672 1.858 . . . . 0.0 110.151 179.833 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.433 ' HZ2' ' HB3' ' A' ' 1' ' ' LYS . 2.9 ttpm? . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 t -97.73 158.21 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 123.397 1.57 . . . . 0.0 113.372 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -125.64 151.86 45.96 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 110.167 -3.197 . . . . 0.0 106.635 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.525 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 1.9 tm0? -122.11 163.0 20.24 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.525 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 43.5 t -92.0 178.28 5.93 Favored 'General case' 0 N--CA 1.504 2.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.208 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -119.57 -19.41 8.13 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -96.16 -51.17 4.52 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.309 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p -117.55 -163.93 0.96 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 124.189 0.931 . . . . 0.0 109.306 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 53.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -98.69 98.59 9.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -114.82 109.85 18.79 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 111.946 -2.388 . . . . 0.0 104.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -124.7 178.03 5.66 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 113.136 -1.847 . . . . 0.0 111.127 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.34 37.71 3.8 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.751 0.786 . . . . 0.0 109.36 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -133.07 149.1 52.18 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -124.18 13.94 9.02 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.301 0.572 . . . . 0.0 111.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -114.58 -34.96 5.04 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -98.23 16.43 21.4 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.3 tp -106.09 -46.34 4.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.81 -38.91 80.25 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 60.3 m -64.51 -47.04 80.38 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -43.77 -57.58 3.16 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.47 -53.43 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.863 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -53.97 -30.9 48.88 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -101.91 -28.99 12.09 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -102.02 -15.41 16.79 Favored 'General case' 0 N--CA 1.503 2.186 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -122.44 -46.57 2.15 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -114.53 176.56 4.99 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.625 1.203 . . . . 0.0 113.132 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -121.13 72.02 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 114.191 -1.368 . . . . 0.0 107.308 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -108.76 -34.65 6.62 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.587 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.51 2.563 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 179.77 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 2' ' ' THR . 28.0 tptt . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 26.5 m 95.35 163.17 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.882 0 C-N-CA 125.452 1.501 . . . . 0.0 108.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.05 148.23 52.21 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -115.94 163.68 15.53 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 124.164 0.915 . . . . 0.0 108.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.37 153.75 19.67 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.722 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -112.74 35.27 3.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.451 1.12 . . . . 0.0 109.468 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -139.59 -57.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.706 -1.588 . . . . 0.0 106.892 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -122.7 -161.07 0.92 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.286 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -107.04 58.9 0.63 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.676 1.226 . . . . 0.0 109.066 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -108.41 104.41 13.75 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -108.89 134.32 51.72 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.864 -1.516 . . . . 0.0 107.164 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.577 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 11.9 m -137.82 160.81 38.26 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.978 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.02 46.46 2.1 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.744 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -126.03 -57.32 1.42 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.6 m 116.58 -63.18 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 O-C-N 126.404 2.315 . . . . 0.0 108.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -54.98 -54.02 48.3 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -50.3 2.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 125.625 1.828 . . . . 0.0 110.164 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.34 -50.33 63.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.866 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -55.51 -48.79 74.06 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -57.21 -52.78 63.93 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.86 -54.86 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.83 -49.59 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.45 -39.68 88.99 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -79.99 -38.61 31.8 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -91.31 -42.28 10.46 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 122.854 0.462 . . . . 0.0 110.977 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -107.66 61.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 123.962 0.789 . . . . 0.0 109.541 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.1 m -1.64 93.05 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 112.567 -2.106 . . . . 0.0 115.675 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 5.44 -64.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 -50.21 2.92 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt . . . . . 0 N--CA 1.51 2.572 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -179.761 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.046 0.451 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -119.36 -176.37 3.13 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -114.53 121.84 44.72 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -105.82 154.99 19.75 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.279 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.3 t -102.52 135.92 43.28 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 103.965 -2.605 . . . . 0.0 103.965 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -110.45 41.02 1.84 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.465 1.103 . . . . 0.0 111.142 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -131.85 -53.02 0.99 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -123.1 -158.03 0.77 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 124.47 1.106 . . . . 0.0 108.651 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -106.53 55.89 0.66 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.605 0.716 . . . . 0.0 110.58 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -109.99 119.85 40.61 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.24 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.76 17.6 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -138.88 178.41 7.17 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.726 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.66 39.31 4.0 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.291 0.567 . . . . 0.0 109.767 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.2 85.79 2.2 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.027 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 t -43.64 -53.52 5.66 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.632 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 m -47.22 -42.71 20.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 124.018 0.824 . . . . 0.0 112.208 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -77.23 -46.56 22.79 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.222 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.19 -50.19 50.15 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -58.68 -44.57 90.29 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 87.3 m -61.15 -44.6 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -53.38 -56.99 12.25 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -44.33 -51.66 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 123.953 0.783 . . . . 0.0 111.893 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -62.92 -54.74 33.85 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.69 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 m -51.49 -46.84 63.32 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.9 -32.85 13.74 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -116.25 73.87 0.87 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.968 1.366 . . . . 0.0 108.952 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 m -83.12 78.21 9.63 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 111.902 -2.408 . . . . 0.0 107.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 113.19 -63.75 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.72 0 C-N-CA 127.287 2.235 . . . . 0.0 106.601 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -17.56 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 126.328 2.268 . . . . 0.0 115.542 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.495 1.799 0 O-C-N 124.424 1.077 . . . . 0.0 109.951 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -103.71 126.43 50.85 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -122.0 147.16 46.41 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.606 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -118.52 150.94 38.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.387 1.055 . . . . 0.0 110.677 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.6 t -84.52 159.16 20.76 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.387 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -117.17 38.32 3.58 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.541 0.686 . . . . 0.0 110.558 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.445 ' CE2' HG21 ' A' ' 22' ' ' ILE . 86.3 m-85 -142.16 -55.82 0.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.645 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.6 p -116.22 -150.14 0.46 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.075 -1.421 . . . . 0.0 110.284 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.92 -32.89 14.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.697 0.623 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 56.0 t80 -19.16 114.46 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 O-C-N 125.308 1.63 . . . . 0.0 114.562 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -128.5 131.41 48.32 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.423 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 26.3 m -146.59 170.5 16.8 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.297 0.998 . . . . 0.0 111.898 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.5 31.2 5.59 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -129.08 81.3 2.02 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.527 ' HG ' ' HZ2' ' A' ' 19' ' ' LYS . 30.0 t -39.7 -52.82 2.25 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.293 0.37 . . . . 0.0 111.73 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m -49.59 -54.61 17.32 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 123.908 0.755 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -57.35 -48.27 79.44 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 tp -54.56 -49.89 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HZ2' ' HG ' ' A' ' 15' ' ' SER . 41.7 mttp -57.45 -50.13 74.01 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 118.015 -1.474 . . . . 0.0 107.438 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -50.25 -56.44 11.12 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -42.7 -59.22 2.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.565 1.166 . . . . 0.0 108.591 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.445 HG21 ' CE2' ' A' ' 7' ' ' TYR . 79.6 mt -53.12 -41.2 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.777 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -84.22 -13.72 51.93 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -108.92 -17.44 13.92 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 117.964 0.347 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.16 -42.04 4.27 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.218 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -117.1 -110.09 0.36 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.299 0.999 . . . . 0.0 112.378 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 69.2 m 110.96 170.54 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 128.228 2.611 . . . . 0.0 108.945 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' SER . 24.7 tptp 116.59 -65.09 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.507 0 C-N-CA 127.421 2.288 . . . . 0.0 110.171 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.81 -144.69 0.25 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 124.041 0.838 . . . . 0.0 109.664 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 pttt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.7 p -119.81 173.8 6.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 124.187 0.929 . . . . 0.0 109.01 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.6 148.26 43.54 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -127.31 151.85 48.21 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.73 163.47 26.12 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.526 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.93 19.63 17.12 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.932 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -137.64 -57.4 0.68 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.609 0.568 . . . . 0.0 111.54 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 19.7 p -108.29 -169.2 1.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.055 0.847 . . . . 0.0 110.403 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.67 59.37 1.25 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.591 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.9 t80 -112.19 122.37 47.55 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.815 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' C ' ' HG ' ' A' ' 12' ' ' SER . 13.0 ptm180 -120.77 146.17 46.79 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 103.498 -2.778 . . . . 0.0 103.498 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.591 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.92 170.17 16.36 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.087 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.22 19.44 17.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.268 0.98 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.88 148.79 50.19 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 23.12 12.46 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.962 0.887 . . . . 0.0 112.65 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -121.96 -41.68 2.43 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -77.32 -48.88 16.25 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.502 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.0 tp -50.48 -37.7 40.02 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 119.907 1.231 . . . . 0.0 112.622 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -70.02 -47.77 60.76 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.6 m -54.57 -44.31 72.84 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.479 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 37.1 t60 -47.23 -60.54 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.8 mt -47.02 -57.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -51.87 -47.98 64.26 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -77.45 -37.42 51.55 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' HD2' ' CE1' ' A' ' 21' ' ' HIS . 49.9 mttm -94.33 -30.1 14.69 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -117.0 63.07 0.72 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.629 0.728 . . . . 0.0 112.923 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.5 t -125.03 27.95 6.55 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.362 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -131.57 -46.6 0.97 Allowed 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.642 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 28.44 -75.58 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 126.639 2.462 . . . . 0.0 114.316 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.3 mmtp . . . . . 0 N--CA 1.506 2.352 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.49 ' HG1' ' H ' ' A' ' 3' ' ' TYR . 2.5 t -125.61 169.39 12.53 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.579 1.181 . . . . 0.0 113.793 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.49 ' H ' ' HG1' ' A' ' 2' ' ' THR . 27.3 m-85 -124.32 132.04 53.54 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 101.996 -3.335 . . . . 0.0 101.996 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -118.59 157.0 28.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.374 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.53 168.92 17.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.099 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -121.18 15.16 11.44 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 123.403 0.439 . . . . 0.0 111.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -125.12 -55.5 1.57 Allowed 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.97 -170.29 1.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.464 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.4 67.03 0.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 123.575 1.655 . . . . 0.0 110.252 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.4 t80 -114.75 112.2 22.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 111.68 -2.509 . . . . 0.0 106.959 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.486 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -111.01 136.4 50.07 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.58 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -138.0 178.1 7.38 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.423 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.69 16.92 14.47 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -129.83 163.14 26.93 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.302 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 t -126.52 34.65 4.77 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 122.2 1.0 . . . . 0.0 112.009 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -132.6 -47.78 0.89 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -69.16 -41.15 77.62 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.33 -21.49 65.65 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 123.511 0.507 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -79.84 -51.21 9.42 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 m -52.45 -49.52 64.47 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -40.13 -60.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.617 1.198 . . . . 0.0 107.871 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.22 -56.13 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 123.759 0.662 . . . . 0.0 112.136 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -49.45 -36.02 21.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.582 ' HG1' ' HZ1' ' A' ' 25' ' ' LYS . 8.7 t -100.13 -29.36 12.54 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.582 ' HZ1' ' HG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -95.92 -22.03 17.68 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -126.4 61.88 1.29 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.1 t -120.93 152.87 37.97 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.207 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' A' ' 29' ' ' GLU . 16.2 ttpp -132.67 -171.05 2.56 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 mm-40 -112.54 176.76 4.89 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.265 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm . . . . . 0 N--CA 1.499 2.021 0 O-C-N 124.316 1.01 . . . . 0.0 109.129 -179.767 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -101.97 -172.18 2.1 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 119.975 -1.703 . . . . 0.0 109.31 0.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -121.03 137.89 54.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.825 0.703 . . . . 0.0 110.239 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -118.25 138.76 52.13 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -61.21 163.11 6.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -116.16 28.51 8.55 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -137.99 -58.38 0.66 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.9 p -116.3 -166.72 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.88 62.19 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.438 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.454 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 93.2 t80 -111.66 117.14 32.09 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 113.004 -1.907 . . . . 0.0 106.696 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.52 122.22 42.14 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 124.549 1.156 . . . . 0.0 107.886 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.454 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 69.7 m -142.15 169.66 17.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 123.649 0.593 . . . . 0.0 111.195 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.19 36.96 4.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -130.17 155.96 45.37 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.697 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -123.99 18.7 9.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.727 0.642 . . . . 0.0 111.046 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HG ' ' N ' ' A' ' 17' ' ' ASN . 93.8 p -120.85 -33.5 3.75 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' N ' ' HG ' ' A' ' 16' ' ' SER . 49.4 t30 -105.61 7.88 32.97 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.8 tp -104.82 -40.4 5.97 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 10.9 mptt -70.56 -38.39 74.12 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 104.775 -2.305 . . . . 0.0 104.775 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -68.51 -45.08 73.25 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -45.82 -61.49 1.7 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.4 mt -49.38 -58.49 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.73 -44.81 38.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.616 ' HG1' ' HZ3' ' A' ' 25' ' ' LYS . 67.0 p -85.19 -37.24 20.36 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' HZ3' ' HG1' ' A' ' 24' ' ' THR . 48.5 mmtm -82.74 -30.34 29.1 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -121.94 -55.13 1.9 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 123.653 0.596 . . . . 0.0 111.035 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 p 96.06 166.72 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.389 0 O-C-N 126.649 2.468 . . . . 0.0 111.739 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -134.37 -81.87 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 125.669 1.588 . . . . 0.0 109.828 -0.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -133.05 -178.64 5.06 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 114.141 -1.391 . . . . 0.0 107.563 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.5 pttt . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 122.461 1.124 . . . . 0.0 109.656 179.864 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.1 p -103.69 166.34 10.48 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.355 -1.466 . . . . 0.0 107.953 -0.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -121.53 129.14 52.72 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.508 HE22 ' N ' ' A' ' 10' ' ' PHE . 48.0 tp60 -117.39 138.03 52.08 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 124.441 1.088 . . . . 0.0 108.623 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -58.44 158.25 7.74 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.27 28.51 8.44 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 123.964 0.79 . . . . 0.0 110.583 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -133.53 -57.59 0.89 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -119.56 -162.65 0.93 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.282 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -114.33 65.01 0.66 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.97 1.367 . . . . 0.0 110.28 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 34.9 t80 -103.1 124.7 49.05 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 179.555 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.75 132.93 56.15 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 123.758 0.661 . . . . 0.0 110.961 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.524 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.1 m -145.63 169.4 18.51 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.072 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.29 44.26 2.71 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.3 t70 -112.68 -65.29 1.2 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.339 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.3 t 108.19 -65.43 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 125.84 1.962 . . . . 0.0 107.103 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -51.3 -43.79 61.75 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.762 0.791 . . . . 0.0 109.794 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -82.42 -12.21 58.04 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.131 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.85 -42.49 24.17 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 101.518 -3.512 . . . . 0.0 101.518 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.49 -45.6 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 m -52.74 -56.83 12.79 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -42.22 -57.97 2.33 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.12 -49.89 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.09 -32.41 72.96 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -93.02 -29.42 15.83 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -101.93 -27.04 13.2 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -179.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.414 ' O ' ' CB ' ' A' ' 27' ' ' SER . 94.4 m-70 -119.3 -45.47 2.54 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -179.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.549 ' HG ' ' H ' ' A' ' 28' ' ' LYS . 46.8 t 125.91 173.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 O-C-N 126.308 2.255 . . . . 0.0 105.445 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.549 ' H ' ' HG ' ' A' ' 27' ' ' SER . 24.9 pttm -113.83 12.52 18.23 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.432 0.457 . . . . 0.0 109.834 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -96.54 159.6 14.85 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.544 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.9 p -105.56 163.87 12.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 123.606 0.566 . . . . 0.0 109.522 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -129.1 146.26 51.09 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 123.425 0.453 . . . . 0.0 111.717 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -120.87 159.51 25.35 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.523 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.4 t -93.29 144.6 25.15 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -107.35 32.84 4.36 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 124.413 1.071 . . . . 0.0 109.199 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -134.09 -57.73 0.86 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -118.73 -162.72 0.91 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.534 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.81 58.93 0.73 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.335 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.497 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 89.5 t80 -109.47 125.04 52.03 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -129.61 130.6 45.86 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.497 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.4 m -146.34 171.78 14.49 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.662 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.31 47.79 1.94 Allowed 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.749 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' SER . 64.6 t0 -125.19 -72.92 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.481 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.5 t 108.79 -48.31 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 t -60.9 -32.83 72.29 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -105.95 21.26 17.61 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 121.883 0.849 . . . . 0.0 110.304 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.11 -41.38 4.94 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.102 -3.295 . . . . 0.0 102.102 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -75.08 -20.75 59.36 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.29 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.6 m -90.18 -4.71 57.08 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 122.224 1.011 . . . . 0.0 108.296 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.33 -67.25 0.86 Allowed 'General case' 0 C--N 1.301 -1.541 1 N-CA-C 97.858 -4.868 . . . . 0.0 97.858 178.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -39.35 -50.37 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -107.47 106.43 16.83 Favored 'General case' 0 N--CA 1.489 1.512 1 N-CA-C 100.094 -4.039 . . . . 0.0 100.094 179.343 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -119.17 66.83 0.79 Allowed 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 120.912 3.671 . . . . 0.0 120.912 0.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -100.71 -34.17 9.96 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 112.718 -2.037 . . . . 0.0 108.265 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -125.6 43.68 3.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 124.081 0.863 . . . . 0.0 110.314 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 p -7.04 96.93 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -98.37 61.41 1.42 Allowed 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 122.634 1.207 . . . . 0.0 110.722 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -127.46 161.42 28.77 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 112.573 -2.103 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 122.57 1.176 . . . . 0.0 110.301 179.847 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -118.52 173.66 6.7 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.357 1.035 . . . . 0.0 110.24 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -113.76 144.97 42.08 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -117.35 139.51 50.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.778 1.299 . . . . 0.0 110.912 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.36 150.12 47.65 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.208 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -109.38 28.01 8.96 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.98 0.8 . . . . 0.0 110.474 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -128.2 -54.73 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.31 -162.88 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.403 -1.271 . . . . 0.0 107.796 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -108.7 61.41 0.6 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.384 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.518 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 31.3 t80 -106.23 128.85 54.25 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.188 -1.824 . . . . 0.0 106.252 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.74 132.6 47.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 123.972 0.795 . . . . 0.0 109.564 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.518 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 60.7 m -144.59 153.88 42.25 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.79 45.91 1.75 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.615 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.9 t70 -120.33 -59.67 1.75 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.43 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 34.3 t 113.33 -53.14 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.215 0 O-C-N 126.34 2.275 . . . . 0.0 105.462 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -58.26 -51.47 69.63 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -51.9 -46.24 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.008 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.5 tp -64.55 -52.07 59.56 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -57.74 -47.95 81.0 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -57.94 -45.88 85.93 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -51.56 -56.73 11.85 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -47.86 -46.67 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -69.78 -44.1 70.82 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -68.24 -38.56 81.95 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -102.41 -37.8 7.87 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -179.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -111.89 27.34 9.75 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -129.62 -86.43 0.53 Allowed 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.713 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -126.17 146.31 50.01 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 124.275 0.985 . . . . 0.0 109.481 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -131.18 60.41 1.66 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.975 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.5 mttm . . . . . 0 N--CA 1.499 2.009 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.328 179.671 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.6 mttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 t -97.05 174.92 6.51 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 119.931 -1.731 . . . . 0.0 109.053 0.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -122.74 146.59 47.37 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 113.178 -1.828 . . . . 0.0 108.82 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -124.0 157.94 33.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.088 0.868 . . . . 0.0 109.841 -179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.5 t -81.69 162.32 23.05 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.328 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -124.11 40.59 3.7 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 122.428 1.109 . . . . 0.0 109.736 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -140.36 -53.88 0.51 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 113.526 -1.67 . . . . 0.0 106.516 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -120.74 -164.1 1.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.416 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -109.34 59.8 0.6 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.716 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.44 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.4 t80 -105.52 125.89 51.5 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 112.868 -1.969 . . . . 0.0 107.265 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -128.51 129.74 46.49 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.692 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.44 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 39.9 m -142.99 161.61 37.67 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.369 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.01 22.84 15.36 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.206 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.79 159.38 24.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.3 t -110.64 -53.56 2.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.0 m -52.68 -38.0 59.77 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.662 0.601 . . . . 0.0 111.005 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -91.73 6.04 47.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.1 tp -106.15 -45.69 4.26 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 179.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -63.93 -37.96 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m -65.97 -46.65 77.29 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 60.6 t60 -46.89 -56.23 6.69 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 179.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.45 -36.33 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -92.12 3.56 55.04 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -120.15 -38.04 2.98 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -94.53 -35.8 12.12 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.771 1.229 . . . . 0.0 110.714 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -110.55 60.77 0.61 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 122.317 1.056 . . . . 0.0 110.728 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -126.21 50.5 1.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -5.12 86.67 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -110.11 53.34 0.7 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 tptm . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 112.911 -1.95 . . . . 0.0 108.337 -179.927 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.4 pttt . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 m -113.03 158.99 19.61 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 122.305 1.05 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -130.22 144.03 51.13 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.186 -2.279 . . . . 0.0 107.435 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.436 HE22 ' N ' ' A' ' 10' ' ' PHE . 53.2 tp60 -121.58 138.99 54.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.236 0.96 . . . . 0.0 111.62 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 50.5 t -65.48 146.17 55.21 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.695 -1.139 . . . . 0.0 108.609 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -107.84 36.95 2.57 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.438 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 86.5 m-85 -136.51 -56.45 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.671 -1.604 . . . . 0.0 107.738 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.44 -165.0 1.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 59.07 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 122.832 1.301 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 70.5 t80 -110.57 126.67 54.68 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 112.873 -1.967 . . . . 0.0 106.232 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -121.36 141.21 51.17 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.638 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.5 m -140.3 159.25 42.61 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.12 48.65 1.45 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.167 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 12.7 t70 -130.68 -64.84 0.82 Allowed 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.945 179.622 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 47.4 t 117.97 -66.95 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 126.891 2.076 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -58.8 -27.46 65.07 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.146 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.46 -40.69 57.15 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.5 tp -60.42 -49.63 76.8 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.983 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -55.69 -45.47 77.8 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 m -56.07 -55.3 34.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -40.35 -58.11 1.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -49.27 -53.27 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.42 -21.26 66.21 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -179.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -109.46 -12.31 14.72 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -107.02 -34.52 7.15 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -179.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -106.31 -48.04 3.66 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -110.44 174.89 5.65 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 124.662 1.226 . . . . 0.0 112.237 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -128.77 99.72 5.43 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 19.15 92.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.449 0 O-C-N 125.204 1.565 . . . . 0.0 114.402 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? . . . . . 0 N--CA 1.495 1.803 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.412 -179.564 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.06 162.41 28.83 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.7 t -98.23 149.65 22.35 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -110.0 39.88 2.05 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-O 122.453 1.121 . . . . 0.0 109.377 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.71 -56.38 0.68 Allowed 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 113.086 -1.87 . . . . 0.0 107.25 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -125.09 -160.43 0.95 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -103.55 57.06 0.74 Allowed 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.036 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -109.08 96.69 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.757 -1.565 . . . . 0.0 106.982 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.41 103.93 11.26 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.729 -2.032 . . . . 0.0 107.978 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -115.5 157.84 23.45 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 112.657 -2.065 . . . . 0.0 108.192 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.22 38.96 1.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.295 1.045 . . . . 0.0 108.614 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -138.32 155.46 48.55 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 112.847 -1.979 . . . . 0.0 105.938 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 t -107.64 -48.58 3.39 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -51.74 -35.25 42.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 123.785 0.678 . . . . 0.0 111.204 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -99.36 10.25 41.77 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -108.28 -44.18 4.19 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.83 -47.66 65.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -58.01 -44.86 87.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -49.27 -63.3 1.14 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 124.467 1.104 . . . . 0.0 108.22 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.1 mt -44.14 -46.48 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.85 -50.14 65.63 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.6 m -79.61 -12.69 59.82 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.0 mptp? -113.87 -29.69 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.59 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -128.07 171.63 11.7 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 t -97.52 150.59 20.92 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.102 -2.317 . . . . 0.0 107.115 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -120.02 36.25 4.59 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.238 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -131.83 -53.61 0.99 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.04 -158.03 0.79 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.35 55.65 0.69 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.754 1.264 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -103.27 143.06 33.14 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 113.566 -1.652 . . . . 0.0 107.182 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -147.65 134.22 19.83 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.201 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -148.5 153.6 38.68 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.08 41.87 3.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 8.5 t70 -114.48 -65.45 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 112.708 -2.042 . . . . 0.0 107.926 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 41.5 t 111.13 -54.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 126.035 2.085 . . . . 0.0 106.747 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -60.46 -42.09 95.46 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -68.5 -28.94 67.45 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 124.06 0.85 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.15 -52.98 8.97 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -61.56 -39.48 91.27 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.714 -1.194 . . . . 0.0 108.387 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.4 m -64.29 -49.3 72.32 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -43.01 -58.23 2.52 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.31 1.006 . . . . 0.0 108.67 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -51.38 -54.52 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -57.13 -20.15 24.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -108.3 -31.04 8.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -29.09 14.91 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 N--CA 1.495 1.8 0 O-C-N 123.667 0.604 . . . . 0.0 109.762 -179.594 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 160.78 21.42 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 39.6 t -92.03 126.86 37.28 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.618 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -95.95 43.62 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.988 1.375 . . . . 0.0 112.269 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.491 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 76.0 m-85 -129.02 -54.68 1.2 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -126.24 -164.24 1.3 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.995 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.25 61.71 0.62 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 68.0 t80 -117.01 130.6 56.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.067 -1.879 . . . . 0.0 108.674 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -118.13 144.26 45.82 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.664 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 3.1 m -140.11 -24.14 0.82 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 119.054 -1.059 . . . . 0.0 113.56 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 33.46 45.82 0.1 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.706 1.254 . . . . 0.0 114.248 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -126.18 -61.07 1.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.281 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 m 111.97 -65.15 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 126.995 2.684 . . . . 0.0 109.897 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -51.46 -49.35 61.93 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 122.601 1.191 . . . . 0.0 109.974 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.99 -45.99 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.491 -1.686 . . . . 0.0 109.713 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -61.71 -45.65 93.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.6 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -54.99 -53.24 58.27 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -54.72 -53.25 57.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -43.03 -54.15 4.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.528 1.142 . . . . 0.0 109.526 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.3 -46.02 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 C-N-CA 119.74 -0.784 . . . . 0.0 113.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -80.09 1.88 26.19 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -120.0 -36.23 3.32 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.719 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -98.17 -36.55 10.02 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.219 1.007 . . . . 0.0 113.159 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 122.347 1.07 . . . . 0.0 108.863 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -108.43 128.13 54.51 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 51.0 t -31.62 -60.87 0.23 Allowed 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 15.1 tt0 116.67 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 O-C-N 125.808 1.943 . . . . 0.0 108.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -95.29 -55.22 3.13 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 113.911 -1.495 . . . . 0.0 112.982 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -113.25 -165.83 1.03 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 123.688 0.618 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -100.02 50.93 0.91 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.735 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 79.0 t80 -107.85 114.66 28.75 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.595 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -116.19 127.89 55.16 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.622 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.4 m -132.92 163.74 28.49 Favored 'General case' 0 N--CA 1.5 2.041 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.44 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.15 46.9 2.58 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' SER . 60.1 t0 -122.41 -69.63 0.82 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 43.2 t 115.2 -58.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 O-C-N 126.451 2.344 . . . . 0.0 107.12 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.07 -11.06 7.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 123.88 0.738 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -102.18 -49.15 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.07 -42.85 77.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 20' ' ' THR . 20.4 pttp -59.05 -45.21 91.36 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.164 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.498 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 99.8 m -58.39 -51.25 70.59 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -47.17 -56.55 6.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 125.014 1.446 . . . . 0.0 110.59 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.89 -25.33 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -90.78 -6.96 53.67 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -115.12 -37.17 4.18 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 123.816 0.698 . . . . 0.0 111.622 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -93.48 -40.35 10.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 125.059 1.475 . . . . 0.0 111.573 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 123.109 1.433 . . . . 0.0 111.315 -179.491 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -116.47 151.86 35.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.79 166.42 22.06 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -121.48 20.84 11.12 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.867 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.2 -50.76 1.2 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.244 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -119.8 -164.96 1.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.841 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 57.73 0.61 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.989 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 74.7 t80 -110.53 137.88 47.64 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 -143.01 140.03 30.84 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 3.5 m -143.07 -65.13 0.39 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 12' ' ' SER . . . 118.73 26.73 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.956 0 O-C-N 125.314 1.634 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -121.62 156.14 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -130.08 27.36 5.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.751 0.786 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -127.59 -35.22 2.16 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -100.52 -37.12 8.94 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.354 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 36.7 tp -58.97 -32.49 69.7 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 118.846 -1.142 . . . . 0.0 108.991 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -67.53 -46.04 73.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 m -56.53 -47.05 80.22 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.5 t60 -48.31 -60.81 2.37 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.4 mt -48.26 -46.26 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.01 -13.79 61.3 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.4 m -103.32 -35.67 8.32 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.84 -32.64 11.6 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.391 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.481 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 50.6 m-85 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -123.29 143.37 50.11 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.53 151.61 36.3 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -115.4 38.93 3.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 124.268 0.98 . . . . 0.0 109.134 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -140.96 -57.55 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.76 -137.08 0.36 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.967 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -96.09 -49.42 5.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 123.628 0.58 . . . . 0.0 112.279 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -13.69 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 136.36 48.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 104.947 -2.242 . . . . 0.0 104.947 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -148.95 170.98 17.09 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.966 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.31 29.62 7.9 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.057 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -130.23 157.69 41.78 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 t -102.48 -56.41 2.26 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.57 -53.27 7.26 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.701 0.763 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.14 -19.7 65.47 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 113.961 -1.472 . . . . 0.0 114.784 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 3' ' ' TYR . 61.7 tp -93.66 -38.79 11.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -62.67 -50.68 70.2 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 m -56.5 -46.02 80.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 106.951 -1.499 . . . . 0.0 106.951 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 76.0 t60 -48.13 -61.63 1.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 124.836 1.335 . . . . 0.0 107.834 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.4 mt -48.66 -48.41 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.66 -53.85 52.44 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -73.79 -34.06 64.49 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 2.4 mmmp? -93.87 -30.37 14.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 N--CA 1.502 2.15 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -179.473 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.585 ' HG2' ' H ' ' A' ' 5' ' ' CYS . 2.5 tt0 -123.16 178.05 5.27 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.287 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.585 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 28.6 t -105.76 153.11 22.33 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -118.24 36.48 4.35 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 124.25 0.969 . . . . 0.0 110.997 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -131.06 -58.71 1.0 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.516 -1.674 . . . . 0.0 106.987 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -118.29 -154.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.788 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 54.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.276 0.985 . . . . 0.0 111.585 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 86.6 t80 -107.99 120.35 42.06 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.063 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.43 134.56 53.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.8 m -151.56 155.55 38.7 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.2 33.52 3.45 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.626 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.85 162.23 32.97 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.275 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -122.55 65.89 0.95 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 102.626 -3.101 . . . . 0.0 102.626 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t 131.73 117.3 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 1 N-CA-C 95.649 -5.685 . . . . 0.0 95.649 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.16 48.58 1.66 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.472 2.767 . . . . 0.0 118.472 0.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.9 tp -99.57 -34.85 10.06 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 101.64 -3.467 . . . . 0.0 101.64 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -75.96 -49.46 17.66 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -54.18 -47.13 72.38 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -46.58 -65.8 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.2 mt -47.65 -44.12 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -60.73 -44.71 96.31 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.466 HG23 ' CD ' ' A' ' 25' ' ' LYS . 12.2 t -100.6 1.93 41.25 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' CD ' HG23 ' A' ' 24' ' ' THR . 1.1 mptm? -113.56 -33.6 5.82 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.829 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 N--CA 1.501 2.093 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -179.368 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 101.17 -3.641 . . . . 0.0 101.17 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 149.26 29.21 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.35 154.78 41.11 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.691 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -107.14 26.12 10.55 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -136.75 -58.48 0.73 Allowed 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.59 -161.6 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.151 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 7.1 mp0 -109.86 57.52 0.61 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.268 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.608 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 54.8 t80 -108.6 120.38 42.26 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -119.09 137.16 53.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.188 0.93 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.608 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 m -134.45 173.92 11.11 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-N 113.421 -1.718 . . . . 0.0 107.43 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.96 26.39 3.29 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 118.463 0.574 . . . . 0.0 110.732 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.5 t70 -113.25 -61.82 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.474 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 26.7 t 117.98 -61.6 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 O-C-N 126.333 2.27 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -54.66 -41.75 70.51 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -58.99 -52.97 63.48 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 37.3 tp -53.95 -46.37 71.58 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.179 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -56.77 -51.43 68.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.659 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.4 m -52.16 -50.85 61.0 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 59.1 t60 -46.23 -57.87 4.18 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.1 mt -49.61 -48.19 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 124.103 0.877 . . . . 0.0 111.85 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -59.02 -36.69 75.38 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -86.58 -39.21 16.39 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.48 -25.34 15.7 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.469 0.652 . . . . 0.0 111.016 -179.625 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -117.51 157.86 25.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 124.15 0.906 . . . . 0.0 108.855 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.88 157.79 21.86 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.703 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -118.56 34.75 5.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.086 0.866 . . . . 0.0 108.699 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.82 -54.51 0.72 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.07 -167.42 1.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.557 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -106.02 63.13 0.66 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.656 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -114.0 140.37 48.49 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 112.662 -2.063 . . . . 0.0 107.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -134.78 146.71 49.6 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 m -142.71 162.29 35.85 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.191 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.33 45.62 2.32 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.343 -0.543 . . . . 0.0 112.434 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.7 t70 -130.57 -63.17 0.89 Allowed 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.385 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 48.5 t 122.7 -68.24 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 O-C-N 126.039 2.087 . . . . 0.0 108.553 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -59.58 -31.3 69.32 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -64.9 -50.26 67.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.27 -43.45 87.93 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.61 -54.78 42.01 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -49.35 -50.99 37.46 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -49.06 -59.97 3.18 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.597 1.186 . . . . 0.0 108.579 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -46.5 -36.08 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 123.712 0.632 . . . . 0.0 112.349 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -80.69 -65.93 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.686 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 m -45.7 -41.65 10.77 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -101.51 -31.26 10.96 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 N--CA 1.503 2.213 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' HB2' HD22 ' A' ' 18' ' ' LEU . 12.5 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -131.6 128.5 39.3 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 t -41.54 -65.81 0.41 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 108.61 1.57 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.792 0 O-C-N 126.309 2.256 . . . . 0.0 112.143 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -119.86 -54.7 2.13 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 30.5 p -115.09 -169.08 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 68.78 0.81 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 89.7 t80 -114.02 104.37 12.08 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -114.6 117.9 32.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -127.48 162.75 25.65 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.832 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.2 46.4 2.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.27 -59.29 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.376 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m 32.01 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.726 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 18' ' ' LEU . 17.2 m -64.73 165.12 10.92 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 119.411 -2.056 . . . . 0.0 109.058 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -98.5 62.08 1.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 122.381 2.355 . . . . 0.0 116.838 0.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 3' ' ' TYR . 41.6 tp -101.98 -37.33 8.26 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -79.93 -31.74 40.09 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -85.08 5.36 29.95 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 122.767 1.27 . . . . 0.0 109.556 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 26.6 t60 -102.04 -65.6 0.97 Allowed 'General case' 0 C--N 1.3 -1.545 1 N-CA-C 99.002 -4.444 . . . . 0.0 99.002 178.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' HIS . 78.9 mt -41.34 -48.03 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -108.16 109.79 21.28 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 t -125.11 68.02 1.12 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 123.694 2.952 . . . . 0.0 118.273 0.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 21' ' ' HIS . 9.7 mptt -103.72 -33.5 8.92 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 112.152 -2.295 . . . . 0.0 107.193 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.494 1.773 0 O-C-N 124.351 1.032 . . . . 0.0 109.793 -179.875 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.092 -0.004 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -125.78 166.45 16.78 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.865 0.728 . . . . 0.0 109.22 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 5.4 t -83.63 -60.65 2.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.155 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 17.6 tt0 120.32 -35.39 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.829 0 O-C-N 125.711 1.882 . . . . 0.0 110.408 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -98.23 -51.96 3.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.712 -1.131 . . . . 0.0 112.879 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.22 -162.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.818 0.818 . . . . 0.0 111.221 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -99.49 55.17 0.97 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.415 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.1 t80 -116.14 92.69 3.97 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 123.318 1.532 . . . . 0.0 107.989 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -115.67 110.73 19.57 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 179.718 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 66.4 m -115.95 177.68 4.59 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.684 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.79 41.69 3.09 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.265 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.0 t70 -125.78 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.833 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 19.6 t 110.94 -49.98 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 126.532 1.933 . . . . 0.0 111.166 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -60.04 -37.99 81.41 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.624 -1.23 . . . . 0.0 108.826 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -97.32 22.42 8.73 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 tp -106.28 -49.5 3.34 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -68.27 -42.38 79.66 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -54.03 -59.77 4.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -51.75 -33.69 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -70.92 -47.44 59.08 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -72.4 -36.84 68.74 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 124.148 0.905 . . . . 0.0 112.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -95.18 -43.7 7.97 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 . . . . . 0 N--CA 1.501 2.096 0 O-C-N 123.571 0.544 . . . . 0.0 112.365 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.23 142.87 50.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -76.81 146.48 37.8 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.319 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.25 34.97 3.22 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.155 0.979 . . . . 0.0 111.741 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -133.4 -54.21 0.9 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 20.3 p -124.75 -167.38 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -109.78 64.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.037 1.399 . . . . 0.0 107.496 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.456 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 63.7 t80 -110.62 113.45 26.07 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 112.17 -2.286 . . . . 0.0 108.151 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.421 ' HB2' HH11 ' A' ' 11' ' ' ARG . 12.3 ptm180 -119.99 133.02 55.67 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 54.1 m -141.5 171.14 14.47 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.767 -1.561 . . . . 0.0 108.163 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.19 43.99 1.62 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.45 165.66 25.71 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 113.741 -1.572 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -115.33 -46.98 2.86 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ASN . 19.0 m -121.18 114.38 21.33 Favored 'General case' 0 C--N 1.298 -1.656 1 N-CA-C 93.484 -6.487 . . . . 0.0 93.484 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' HB ' ' A' ' 20' ' ' THR . 74.0 m-80 -97.36 51.33 1.09 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 121.424 3.861 . . . . 0.0 121.424 1.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 28.4 tp -86.33 -39.99 15.91 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.23 -40.18 93.71 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 96.9 m -62.67 -38.53 90.72 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 41.0 t60 -56.93 -60.3 3.78 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -40.39 -50.06 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 123.82 0.7 . . . . 0.0 111.112 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.66 -62.86 1.38 Allowed 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 m -54.84 -37.57 66.34 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 21' ' ' HIS . 34.6 mmtp -95.61 -38.86 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 124.511 1.132 . . . . 0.0 112.141 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 122.44 1.114 . . . . 0.0 110.021 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -118.34 133.01 56.24 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.329 1.061 . . . . 0.0 113.705 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.62 163.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 112.792 -2.004 . . . . 0.0 112.433 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -116.18 21.22 13.84 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.45 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -129.43 -58.32 1.12 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.732 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.98 -160.96 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.47 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -110.15 63.57 0.61 Allowed 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.608 1.194 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -106.73 128.5 54.27 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -133.86 131.42 39.15 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.832 0.708 . . . . 0.0 110.5 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 158.29 43.8 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.134 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.0 41.91 2.3 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 123.841 0.713 . . . . 0.0 109.228 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . 16.5 t70 -125.23 -42.09 2.02 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.332 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m 5.81 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 p 5.46 -83.53 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.984 2 N-CA-C 130.023 7.045 . . . . 0.0 130.023 0.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 74.2 m-20 -30.89 -57.64 0.22 Allowed 'General case' 0 N--CA 1.53 3.556 0 CA-C-N 123.151 2.705 . . . . 0.0 115.5 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -47.38 -35.47 8.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.13 -46.43 42.55 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.4 m -54.38 -46.14 72.99 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.446 ' ND1' ' HG3' ' A' ' 25' ' ' LYS . 48.6 t60 -49.06 -61.72 1.92 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.58 -41.65 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 123.918 0.762 . . . . 0.0 110.583 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HG2' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -64.87 -46.13 83.09 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.929 179.677 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 23' ' ' LYS . 18.2 p -94.91 8.84 41.44 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' ND1' ' A' ' 21' ' ' HIS . 41.7 mmtm -130.49 -42.8 1.16 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 120.519 0.2 . . . . 0.0 111.083 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -179.799 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.11 163.0 20.24 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 10' ' ' PHE . 43.5 t -92.0 178.28 5.93 Favored 'General case' 0 N--CA 1.504 2.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.208 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -119.57 -19.41 8.13 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -96.16 -51.17 4.52 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.309 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 15.2 p -117.55 -163.93 0.96 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 124.189 0.931 . . . . 0.0 109.306 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 53.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.2 t80 -98.69 98.59 9.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -114.82 109.85 18.79 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 111.946 -2.388 . . . . 0.0 104.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -124.7 178.03 5.66 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 113.136 -1.847 . . . . 0.0 111.127 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.34 37.71 3.8 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.751 0.786 . . . . 0.0 109.36 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -133.07 149.1 52.18 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -124.18 13.94 9.02 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.301 0.572 . . . . 0.0 111.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -114.58 -34.96 5.04 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -98.23 16.43 21.4 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 22.3 tp -106.09 -46.34 4.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.81 -38.91 80.25 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.453 ' HA ' ' HZ3' ' A' ' 23' ' ' LYS . 60.3 m -64.51 -47.04 80.38 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.9 t60 -43.77 -57.58 3.16 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.47 -53.43 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.863 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HZ3' ' HA ' ' A' ' 20' ' ' THR . 6.5 ttpm? -53.97 -30.9 48.88 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -101.91 -28.99 12.09 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -102.02 -15.41 16.79 Favored 'General case' 0 N--CA 1.503 2.186 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -179.714 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -115.94 163.68 15.53 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 124.164 0.915 . . . . 0.0 108.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.37 153.75 19.67 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.722 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -112.74 35.27 3.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.451 1.12 . . . . 0.0 109.468 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' CE2' HG23 ' A' ' 22' ' ' ILE . 94.8 m-85 -139.59 -57.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.706 -1.588 . . . . 0.0 106.892 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -122.7 -161.07 0.92 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.286 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -107.04 58.9 0.63 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.676 1.226 . . . . 0.0 109.066 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -108.41 104.41 13.75 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -108.89 134.32 51.72 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.864 -1.516 . . . . 0.0 107.164 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.577 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 11.9 m -137.82 160.81 38.26 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.978 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.02 46.46 2.1 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.744 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -126.03 -57.32 1.42 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.6 m 116.58 -63.18 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 O-C-N 126.404 2.315 . . . . 0.0 108.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -54.98 -54.02 48.3 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -39.55 -50.3 2.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 125.625 1.828 . . . . 0.0 110.164 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.34 -50.33 63.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.866 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -55.51 -48.79 74.06 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -57.21 -52.78 63.93 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.86 -54.86 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.404 HG23 ' CE2' ' A' ' 7' ' ' TYR . 96.6 mt -51.83 -49.59 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.45 -39.68 88.99 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -79.99 -38.61 31.8 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -91.31 -42.28 10.46 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 122.854 0.462 . . . . 0.0 110.977 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 N--CA 1.499 2.001 0 O-C-N 123.962 0.789 . . . . 0.0 109.541 -179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -105.82 154.99 19.75 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.279 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HG ' ' HD2' ' A' ' 7' ' ' TYR . 43.3 t -102.52 135.92 43.28 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 103.965 -2.605 . . . . 0.0 103.965 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -110.45 41.02 1.84 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.465 1.103 . . . . 0.0 111.142 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.475 ' HD2' ' HG ' ' A' ' 5' ' ' CYS . 42.2 m-85 -131.85 -53.02 0.99 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -123.1 -158.03 0.77 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 124.47 1.106 . . . . 0.0 108.651 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -106.53 55.89 0.66 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.605 0.716 . . . . 0.0 110.58 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -109.99 119.85 40.61 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.24 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.76 17.6 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -138.88 178.41 7.17 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.726 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.66 39.31 4.0 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.291 0.567 . . . . 0.0 109.767 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.2 85.79 2.2 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.027 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 t -43.64 -53.52 5.66 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.632 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 m -47.22 -42.71 20.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 124.018 0.824 . . . . 0.0 112.208 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -77.23 -46.56 22.79 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.222 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.19 -50.19 50.15 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -58.68 -44.57 90.29 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 87.3 m -61.15 -44.6 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -53.38 -56.99 12.25 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -44.33 -51.66 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 123.953 0.783 . . . . 0.0 111.893 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -62.92 -54.74 33.85 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.69 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 m -51.49 -46.84 63.32 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.9 -32.85 13.74 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 122.968 1.366 . . . . 0.0 108.952 -179.568 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -118.52 150.94 38.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.387 1.055 . . . . 0.0 110.677 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.6 t -84.52 159.16 20.76 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.387 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -117.17 38.32 3.58 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.541 0.686 . . . . 0.0 110.558 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.488 ' CE2' HG23 ' A' ' 22' ' ' ILE . 86.3 m-85 -142.16 -55.82 0.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.645 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 20.6 p -116.22 -150.14 0.46 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.075 -1.421 . . . . 0.0 110.284 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.92 -32.89 14.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.697 0.623 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.434 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 56.0 t80 -19.16 114.46 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 O-C-N 125.308 1.63 . . . . 0.0 114.562 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -128.5 131.41 48.32 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 m -146.59 170.5 16.8 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.297 0.998 . . . . 0.0 111.898 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.5 31.2 5.59 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 10.3 t0 -129.08 81.3 2.02 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -39.7 -52.82 2.25 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.293 0.37 . . . . 0.0 111.73 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m -49.59 -54.61 17.32 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 123.908 0.755 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 62.1 t30 -57.35 -48.27 79.44 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 tp -54.56 -49.89 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -57.45 -50.13 74.01 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 118.015 -1.474 . . . . 0.0 107.438 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -50.25 -56.44 11.12 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -42.7 -59.22 2.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.565 1.166 . . . . 0.0 108.591 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 7' ' ' TYR . 79.6 mt -53.12 -41.2 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.777 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -84.22 -13.72 51.93 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -108.92 -17.44 13.92 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 117.964 0.347 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.16 -42.04 4.27 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.218 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 124.299 0.999 . . . . 0.0 112.378 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -127.31 151.85 48.21 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.73 163.47 26.12 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.526 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.93 19.63 17.12 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.932 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -137.64 -57.4 0.68 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.609 0.568 . . . . 0.0 111.54 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 19.7 p -108.29 -169.2 1.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.055 0.847 . . . . 0.0 110.403 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.67 59.37 1.25 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.558 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.9 t80 -112.19 122.37 47.55 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.815 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -120.77 146.17 46.79 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 103.498 -2.778 . . . . 0.0 103.498 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.558 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.92 170.17 16.36 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.087 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.22 19.44 17.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.268 0.98 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.88 148.79 50.19 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 23.12 12.46 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.962 0.887 . . . . 0.0 112.65 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -121.96 -41.68 2.43 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -77.32 -48.88 16.25 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.502 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 49.0 tp -50.48 -37.7 40.02 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 119.907 1.231 . . . . 0.0 112.622 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -70.02 -47.77 60.76 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.6 m -54.57 -44.31 72.84 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 37.1 t60 -47.23 -60.54 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.8 mt -47.02 -57.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -51.87 -47.98 64.26 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -77.45 -37.42 51.55 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 21' ' ' HIS . 49.9 mttm -94.33 -30.1 14.69 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 121.629 0.728 . . . . 0.0 112.923 -179.634 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 101.996 -3.335 . . . . 0.0 101.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.59 157.0 28.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.374 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.53 168.92 17.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.099 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -121.18 15.16 11.44 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 123.403 0.439 . . . . 0.0 111.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -125.12 -55.5 1.57 Allowed 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.97 -170.29 1.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.464 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.4 67.03 0.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 123.575 1.655 . . . . 0.0 110.252 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.4 t80 -114.75 112.2 22.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 111.68 -2.509 . . . . 0.0 106.959 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.616 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -111.01 136.4 50.07 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.58 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -138.0 178.1 7.38 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.423 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.69 16.92 14.47 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -129.83 163.14 26.93 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.302 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 t -126.52 34.65 4.77 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 122.2 1.0 . . . . 0.0 112.009 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -132.6 -47.78 0.89 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -69.16 -41.15 77.62 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.33 -21.49 65.65 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 123.511 0.507 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -79.84 -51.21 9.42 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 m -52.45 -49.52 64.47 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -40.13 -60.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.617 1.198 . . . . 0.0 107.871 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.22 -56.13 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 123.759 0.662 . . . . 0.0 112.136 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -49.45 -36.02 21.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -100.13 -29.36 12.54 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.92 -22.03 17.68 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.84 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -118.25 138.76 52.13 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -61.21 163.11 6.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -116.16 28.51 8.55 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -137.99 -58.38 0.66 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.9 p -116.3 -166.72 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.88 62.19 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.438 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -111.66 117.14 32.09 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 113.004 -1.907 . . . . 0.0 106.696 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.52 122.22 42.14 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 124.549 1.156 . . . . 0.0 107.886 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -142.15 169.66 17.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 123.649 0.593 . . . . 0.0 111.195 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.19 36.96 4.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -130.17 155.96 45.37 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.697 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -123.99 18.7 9.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.727 0.642 . . . . 0.0 111.046 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.8 p -120.85 -33.5 3.75 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -105.61 7.88 32.97 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.8 tp -104.82 -40.4 5.97 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 10.9 mptt -70.56 -38.39 74.12 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 104.775 -2.305 . . . . 0.0 104.775 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -68.51 -45.08 73.25 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -45.82 -61.49 1.7 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.4 mt -49.38 -58.49 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.73 -44.81 38.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.0 p -85.19 -37.24 20.36 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -82.74 -30.34 29.1 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 123.653 0.596 . . . . 0.0 111.035 -179.583 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -117.39 138.03 52.08 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 124.441 1.088 . . . . 0.0 108.623 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -58.44 158.25 7.74 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -117.27 28.51 8.44 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 123.964 0.79 . . . . 0.0 110.583 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -133.53 -57.59 0.89 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -119.56 -162.65 0.93 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.282 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -114.33 65.01 0.66 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.97 1.367 . . . . 0.0 110.28 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 34.9 t80 -103.1 124.7 49.05 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.75 132.93 56.15 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 123.758 0.661 . . . . 0.0 110.961 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.1 m -145.63 169.4 18.51 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.072 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.29 44.26 2.71 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.3 t70 -112.68 -65.29 1.2 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.339 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.3 t 108.19 -65.43 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 125.84 1.962 . . . . 0.0 107.103 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -51.3 -43.79 61.75 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.762 0.791 . . . . 0.0 109.794 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -82.42 -12.21 58.04 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.131 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.85 -42.49 24.17 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 101.518 -3.512 . . . . 0.0 101.518 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.49 -45.6 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 m -52.74 -56.83 12.79 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -42.22 -57.97 2.33 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.12 -49.89 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.09 -32.41 72.96 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -93.02 -29.42 15.83 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -101.93 -27.04 13.2 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -179.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -179.423 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.978 0.418 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 55.5 tp60 -120.87 159.51 25.35 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.523 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.448 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 51.4 t -93.29 144.6 25.15 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -107.35 32.84 4.36 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 124.413 1.071 . . . . 0.0 109.199 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 29.8 m-85 -134.09 -57.73 0.86 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -118.73 -162.72 0.91 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.534 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.81 58.93 0.73 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.335 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -109.47 125.04 52.03 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -129.61 130.6 45.86 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.4 m -146.34 171.78 14.49 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.31 47.79 1.94 Allowed 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.749 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' SER . 64.6 t0 -125.19 -72.92 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.481 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.5 t 108.79 -48.31 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.581 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 t -60.9 -32.83 72.29 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -105.95 21.26 17.61 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 121.883 0.849 . . . . 0.0 110.304 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.11 -41.38 4.94 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.102 -3.295 . . . . 0.0 102.102 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -75.08 -20.75 59.36 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.29 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.6 m -90.18 -4.71 57.08 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 122.224 1.011 . . . . 0.0 108.296 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.33 -67.25 0.86 Allowed 'General case' 0 C--N 1.301 -1.541 1 N-CA-C 97.858 -4.868 . . . . 0.0 97.858 178.889 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -39.35 -50.37 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' THR . 45.5 tttm -107.47 106.43 16.83 Favored 'General case' 0 N--CA 1.489 1.512 1 N-CA-C 100.094 -4.039 . . . . 0.0 100.094 179.343 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 10.1 t -119.17 66.83 0.79 Allowed 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 120.912 3.671 . . . . 0.0 120.912 0.415 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -100.71 -34.17 9.96 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 112.718 -2.037 . . . . 0.0 108.265 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 124.081 0.863 . . . . 0.0 110.314 -179.852 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -117.35 139.51 50.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.778 1.299 . . . . 0.0 110.912 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.36 150.12 47.65 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.208 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -109.38 28.01 8.96 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.98 0.8 . . . . 0.0 110.474 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -128.2 -54.73 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.31 -162.88 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.403 -1.271 . . . . 0.0 107.796 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -108.7 61.41 0.6 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.384 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.469 ' CE1' ' OG ' ' A' ' 12' ' ' SER . 31.3 t80 -106.23 128.85 54.25 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.188 -1.824 . . . . 0.0 106.252 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.74 132.6 47.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 123.972 0.795 . . . . 0.0 109.564 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 10' ' ' PHE . 60.7 m -144.59 153.88 42.25 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.79 45.91 1.75 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.615 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.9 t70 -120.33 -59.67 1.75 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.43 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 34.3 t 113.33 -53.14 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.215 0 O-C-N 126.34 2.275 . . . . 0.0 105.462 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -58.26 -51.47 69.63 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -51.9 -46.24 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.008 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 38.5 tp -64.55 -52.07 59.56 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -57.74 -47.95 81.0 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -57.94 -45.88 85.93 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 57.6 t60 -51.56 -56.73 11.85 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -47.86 -46.67 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -69.78 -44.1 70.82 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -68.24 -38.56 81.95 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 4.0 mmmp? -102.41 -37.8 7.87 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -179.476 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 N--CA 1.505 2.301 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -179.246 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -124.0 157.94 33.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.088 0.868 . . . . 0.0 109.841 -179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.5 t -81.69 162.32 23.05 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.328 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -124.11 40.59 3.7 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 122.428 1.109 . . . . 0.0 109.736 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 22' ' ' ILE . 84.0 m-85 -140.36 -53.88 0.51 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 113.526 -1.67 . . . . 0.0 106.516 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -120.74 -164.1 1.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.416 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -109.34 59.8 0.6 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.716 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.4 t80 -105.52 125.89 51.5 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 112.868 -1.969 . . . . 0.0 107.265 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -128.51 129.74 46.49 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.692 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.42 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 39.9 m -142.99 161.61 37.67 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.369 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.01 22.84 15.36 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.206 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.79 159.38 24.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.3 t -110.64 -53.56 2.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.0 m -52.68 -38.0 59.77 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.662 0.601 . . . . 0.0 111.005 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -91.73 6.04 47.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 45.1 tp -106.15 -45.69 4.26 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -63.93 -37.96 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m -65.97 -46.65 77.29 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 60.6 t60 -46.89 -56.23 6.69 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.4 HG23 ' CE2' ' A' ' 7' ' ' TYR . 82.2 mt -56.45 -36.33 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.732 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -92.12 3.56 55.04 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -120.15 -38.04 2.98 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -94.53 -35.8 12.12 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.771 1.229 . . . . 0.0 110.714 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 122.317 1.056 . . . . 0.0 110.728 -179.888 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -121.58 138.99 54.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.236 0.96 . . . . 0.0 111.62 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 50.5 t -65.48 146.17 55.21 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.695 -1.139 . . . . 0.0 108.609 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -107.84 36.95 2.57 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.445 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 86.5 m-85 -136.51 -56.45 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.671 -1.604 . . . . 0.0 107.738 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.44 -165.0 1.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 59.07 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 122.832 1.301 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 70.5 t80 -110.57 126.67 54.68 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 112.873 -1.967 . . . . 0.0 106.232 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -121.36 141.21 51.17 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.638 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.5 m -140.3 159.25 42.61 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.12 48.65 1.45 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.167 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 12.7 t70 -130.68 -64.84 0.82 Allowed 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.945 179.622 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 47.4 t 117.97 -66.95 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 126.891 2.076 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -58.8 -27.46 65.07 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.146 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.46 -40.69 57.15 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.5 tp -60.42 -49.63 76.8 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.983 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -55.69 -45.47 77.8 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 m -56.07 -55.3 34.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -40.35 -58.11 1.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -49.27 -53.27 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.42 -21.26 66.21 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -179.461 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -109.46 -12.31 14.72 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -107.02 -34.52 7.15 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.529 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.5 pttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.77 0.795 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.1 t -120.23 -171.2 2.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -118.98 159.94 22.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.06 162.41 28.83 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.7 t -98.23 149.65 22.35 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -110.0 39.88 2.05 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-O 122.453 1.121 . . . . 0.0 109.377 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.71 -56.38 0.68 Allowed 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 113.086 -1.87 . . . . 0.0 107.25 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -125.09 -160.43 0.95 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -103.55 57.06 0.74 Allowed 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.036 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -109.08 96.69 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.757 -1.565 . . . . 0.0 106.982 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.41 103.93 11.26 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.729 -2.032 . . . . 0.0 107.978 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -115.5 157.84 23.45 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 112.657 -2.065 . . . . 0.0 108.192 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.22 38.96 1.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.295 1.045 . . . . 0.0 108.614 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -138.32 155.46 48.55 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 112.847 -1.979 . . . . 0.0 105.938 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 t -107.64 -48.58 3.39 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -51.74 -35.25 42.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 123.785 0.678 . . . . 0.0 111.204 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -99.36 10.25 41.77 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -108.28 -44.18 4.19 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.83 -47.66 65.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -58.01 -44.86 87.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -49.27 -63.3 1.14 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 124.467 1.104 . . . . 0.0 108.22 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.1 mt -44.14 -46.48 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.85 -50.14 65.63 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.6 m -79.61 -12.69 59.82 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.0 mptp? -113.87 -29.69 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -116.22 -51.59 2.62 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -113.66 84.45 2.02 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.52 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -98.97 -103.18 0.22 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.028 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.27 76.63 1.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.07 0 CA-C-O 122.527 1.156 . . . . 0.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -123.09 -171.55 2.32 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -120.57 135.26 55.14 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -128.07 171.63 11.7 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 t -97.52 150.59 20.92 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.102 -2.317 . . . . 0.0 107.115 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -120.02 36.25 4.59 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.238 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -131.83 -53.61 0.99 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.04 -158.03 0.79 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.35 55.65 0.69 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.754 1.264 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -103.27 143.06 33.14 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 113.566 -1.652 . . . . 0.0 107.182 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -147.65 134.22 19.83 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.201 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -148.5 153.6 38.68 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.08 41.87 3.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 8.5 t70 -114.48 -65.45 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 112.708 -2.042 . . . . 0.0 107.926 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 41.5 t 111.13 -54.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 126.035 2.085 . . . . 0.0 106.747 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -60.46 -42.09 95.46 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -68.5 -28.94 67.45 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 124.06 0.85 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.15 -52.98 8.97 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -61.56 -39.48 91.27 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.714 -1.194 . . . . 0.0 108.387 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.4 m -64.29 -49.3 72.32 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -43.01 -58.23 2.52 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.31 1.006 . . . . 0.0 108.67 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -51.38 -54.52 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -57.13 -20.15 24.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -108.3 -31.04 8.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -29.09 14.91 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -120.39 44.42 2.46 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 123.667 0.604 . . . . 0.0 109.762 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 p -133.86 60.2 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 109.19 -58.66 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.865 0 C-N-CA 126.515 1.926 . . . . 0.0 108.072 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 12.59 66.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 126.402 2.314 . . . . 0.0 114.985 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 122.157 0.979 . . . . 0.0 109.754 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -110.27 164.57 12.53 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 113.475 0.916 . . . . 0.0 113.475 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -125.05 131.51 53.34 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 160.78 21.42 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 39.6 t -92.03 126.86 37.28 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.618 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -95.95 43.62 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.988 1.375 . . . . 0.0 112.269 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 76.0 m-85 -129.02 -54.68 1.2 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -126.24 -164.24 1.3 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.995 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.25 61.71 0.62 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 68.0 t80 -117.01 130.6 56.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.067 -1.879 . . . . 0.0 108.674 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -118.13 144.26 45.82 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.664 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 3.1 m -140.11 -24.14 0.82 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 119.054 -1.059 . . . . 0.0 113.56 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 33.46 45.82 0.1 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.706 1.254 . . . . 0.0 114.248 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -126.18 -61.07 1.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.281 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 m 111.97 -65.15 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 126.995 2.684 . . . . 0.0 109.897 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -51.46 -49.35 61.93 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 122.601 1.191 . . . . 0.0 109.974 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.99 -45.99 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.491 -1.686 . . . . 0.0 109.713 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -61.71 -45.65 93.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.6 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -54.99 -53.24 58.27 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -54.72 -53.25 57.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -43.03 -54.15 4.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.528 1.142 . . . . 0.0 109.526 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.3 -46.02 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 C-N-CA 119.74 -0.784 . . . . 0.0 113.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -80.09 1.88 26.19 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -120.0 -36.23 3.32 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.719 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -98.17 -36.55 10.02 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.219 1.007 . . . . 0.0 113.159 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -110.61 41.19 1.83 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 122.347 1.07 . . . . 0.0 108.863 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -140.48 -176.65 4.71 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 112.746 -2.025 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? 8.88 72.66 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 125.794 1.934 . . . . 0.0 115.773 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.07 160.67 27.21 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.508 2.474 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.723 0.773 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p -123.8 167.98 13.34 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.668 -1.605 . . . . 0.0 107.718 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.08 137.25 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -108.43 128.13 54.51 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 51.0 t -31.62 -60.87 0.23 Allowed 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 15.1 tt0 116.67 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 O-C-N 125.808 1.943 . . . . 0.0 108.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -95.29 -55.22 3.13 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 113.911 -1.495 . . . . 0.0 112.982 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -113.25 -165.83 1.03 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 123.688 0.618 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -100.02 50.93 0.91 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.735 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 79.0 t80 -107.85 114.66 28.75 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.595 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -116.19 127.89 55.16 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.622 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.4 m -132.92 163.74 28.49 Favored 'General case' 0 N--CA 1.5 2.041 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.44 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.15 46.9 2.58 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' SER . 60.1 t0 -122.41 -69.63 0.82 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 43.2 t 115.2 -58.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 O-C-N 126.451 2.344 . . . . 0.0 107.12 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.07 -11.06 7.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 123.88 0.738 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -102.18 -49.15 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.07 -42.85 77.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 20' ' ' THR . 20.4 pttp -59.05 -45.21 91.36 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.164 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.498 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 99.8 m -58.39 -51.25 70.59 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -47.17 -56.55 6.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 125.014 1.446 . . . . 0.0 110.59 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.89 -25.33 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -90.78 -6.96 53.67 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -115.12 -37.17 4.18 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 123.816 0.698 . . . . 0.0 111.622 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -93.48 -40.35 10.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 125.059 1.475 . . . . 0.0 111.573 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -111.18 47.61 0.99 Allowed 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 123.109 1.433 . . . . 0.0 111.315 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 28' ' ' LYS . 32.5 t -133.9 -171.46 2.74 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 111.356 -2.656 . . . . 0.0 104.068 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 27' ' ' SER . 21.0 pttp 8.6 70.39 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -108.26 -29.24 9.0 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.656 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 N--CA 1.499 2.014 0 O-C-N 124.423 1.077 . . . . 0.0 109.86 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 2' ' ' THR . 17.4 pttp . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 1' ' ' LYS . 82.7 p -121.76 179.64 4.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.085 0.865 . . . . 0.0 110.061 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' H ' ' HA ' ' A' ' 13' ' ' ALA . 42.6 m-85 -117.06 137.3 52.35 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -116.47 151.86 35.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.79 166.42 22.06 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -121.48 20.84 11.12 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.867 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.2 -50.76 1.2 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.244 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -119.8 -164.96 1.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.841 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 57.73 0.61 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.989 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 74.7 t80 -110.53 137.88 47.64 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 -143.01 140.03 30.84 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 3.5 m -143.07 -65.13 0.39 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 12' ' ' SER . . . 118.73 26.73 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.956 0 O-C-N 125.314 1.634 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -121.62 156.14 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -130.08 27.36 5.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.751 0.786 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -127.59 -35.22 2.16 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -100.52 -37.12 8.94 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.354 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 36.7 tp -58.97 -32.49 69.7 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 118.846 -1.142 . . . . 0.0 108.991 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -67.53 -46.04 73.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 m -56.53 -47.05 80.22 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.5 t60 -48.31 -60.81 2.37 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.4 mt -48.26 -46.26 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.01 -13.79 61.3 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.4 m -103.32 -35.67 8.32 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.84 -32.64 11.6 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.73 23.14 11.9 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.6 t -137.52 -57.05 0.69 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -121.31 46.23 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -7.97 -65.62 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 112.934 -1.939 . . . . 0.0 115.968 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 122.471 1.129 . . . . 0.0 109.122 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.5 p -93.76 159.83 15.03 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.346 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.481 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 50.6 m-85 -127.38 145.24 50.88 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.216 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -123.29 143.37 50.11 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.53 151.61 36.3 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -115.4 38.93 3.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 124.268 0.98 . . . . 0.0 109.134 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -140.96 -57.55 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.76 -137.08 0.36 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.967 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -96.09 -49.42 5.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 123.628 0.58 . . . . 0.0 112.279 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -13.69 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 136.36 48.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 104.947 -2.242 . . . . 0.0 104.947 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -148.95 170.98 17.09 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.966 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.31 29.62 7.9 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.057 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -130.23 157.69 41.78 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 t -102.48 -56.41 2.26 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.57 -53.27 7.26 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.701 0.763 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.14 -19.7 65.47 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 113.961 -1.472 . . . . 0.0 114.784 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 3' ' ' TYR . 61.7 tp -93.66 -38.79 11.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -62.67 -50.68 70.2 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 m -56.5 -46.02 80.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 106.951 -1.499 . . . . 0.0 106.951 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 76.0 t60 -48.13 -61.63 1.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 124.836 1.335 . . . . 0.0 107.834 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.4 mt -48.66 -48.41 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 27' ' ' SER . 13.8 mptt -60.66 -53.85 52.44 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -73.79 -34.06 64.49 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 2.4 mmmp? -93.87 -30.37 14.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -121.58 -73.55 0.64 Allowed 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . 8.7 t -33.22 -56.9 0.41 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 48.62 61.41 3.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 125.001 1.438 . . . . 0.0 111.284 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 11.9 pt-20 -118.32 -43.1 2.74 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.686 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 22.5 ttmm . . . . . 0 N--CA 1.509 2.513 0 C-N-CA 126.965 2.106 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 1' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.3 m -125.38 171.89 10.07 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.359 -1.291 . . . . 0.0 108.921 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.35 151.53 42.41 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.585 ' HG2' ' H ' ' A' ' 5' ' ' CYS . 2.5 tt0 -123.16 178.05 5.27 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.287 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.585 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 28.6 t -105.76 153.11 22.33 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -118.24 36.48 4.35 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 124.25 0.969 . . . . 0.0 110.997 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -131.06 -58.71 1.0 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.516 -1.674 . . . . 0.0 106.987 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -118.29 -154.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.788 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 54.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.276 0.985 . . . . 0.0 111.585 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 86.6 t80 -107.99 120.35 42.06 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.063 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.43 134.56 53.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.8 m -151.56 155.55 38.7 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.2 33.52 3.45 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.626 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.85 162.23 32.97 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.275 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -122.55 65.89 0.95 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 102.626 -3.101 . . . . 0.0 102.626 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t 131.73 117.3 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 1 N-CA-C 95.649 -5.685 . . . . 0.0 95.649 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.16 48.58 1.66 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.472 2.767 . . . . 0.0 118.472 0.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.9 tp -99.57 -34.85 10.06 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 101.64 -3.467 . . . . 0.0 101.64 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -75.96 -49.46 17.66 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -54.18 -47.13 72.38 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' HD1' ' HZ2' ' A' ' 25' ' ' LYS . 64.3 t60 -46.58 -65.8 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.2 mt -47.65 -44.12 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -60.73 -44.71 96.31 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.466 HG23 ' CD ' ' A' ' 25' ' ' LYS . 12.2 t -100.6 1.93 41.25 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HZ2' ' HD1' ' A' ' 21' ' ' HIS . 1.1 mptm? -113.56 -33.6 5.82 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.829 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -123.12 -52.0 1.87 Allowed 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -115.6 -146.71 0.41 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 124.414 1.071 . . . . 0.0 110.148 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.5 OUTLIER 6.7 64.7 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.487 1.915 . . . . 0.0 115.735 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 tm-20 104.62 115.51 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 126.384 1.874 . . . . 0.0 106.314 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 122.324 1.059 . . . . 0.0 109.355 -179.877 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 t -130.66 166.3 20.99 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.992 1.377 . . . . 0.0 111.183 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -123.96 122.98 39.38 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 101.17 -3.641 . . . . 0.0 101.17 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 149.26 29.21 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.35 154.78 41.11 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.691 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -107.14 26.12 10.55 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -136.75 -58.48 0.73 Allowed 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.59 -161.6 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.151 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 7.1 mp0 -109.86 57.52 0.61 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.268 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.608 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 54.8 t80 -108.6 120.38 42.26 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -119.09 137.16 53.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.188 0.93 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.608 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 m -134.45 173.92 11.11 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-N 113.421 -1.718 . . . . 0.0 107.43 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.96 26.39 3.29 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 118.463 0.574 . . . . 0.0 110.732 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.5 t70 -113.25 -61.82 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.474 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 26.7 t 117.98 -61.6 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 O-C-N 126.333 2.27 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -54.66 -41.75 70.51 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -58.99 -52.97 63.48 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 37.3 tp -53.95 -46.37 71.58 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.179 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -56.77 -51.43 68.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.659 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.4 m -52.16 -50.85 61.0 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 59.1 t60 -46.23 -57.87 4.18 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.1 mt -49.61 -48.19 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 124.103 0.877 . . . . 0.0 111.85 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -59.02 -36.69 75.38 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -86.58 -39.21 16.39 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.48 -25.34 15.7 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -123.05 72.21 1.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.469 0.652 . . . . 0.0 111.016 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 m -95.99 3.11 53.73 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -116.7 47.83 1.39 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 106.862 -1.532 . . . . 0.0 106.862 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -124.79 -11.74 7.17 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 3.2 mptp? . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 122.221 1.01 . . . . 0.0 109.745 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p -122.81 174.53 7.08 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.48 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.71 151.91 35.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -117.51 157.86 25.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 124.15 0.906 . . . . 0.0 108.855 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.7 t -83.88 157.79 21.86 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.703 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.8 mp0 -118.56 34.75 5.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.086 0.866 . . . . 0.0 108.699 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.82 -54.51 0.72 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.07 -167.42 1.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.557 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -106.02 63.13 0.66 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.656 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -114.0 140.37 48.49 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 112.662 -2.063 . . . . 0.0 107.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -134.78 146.71 49.6 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 m -142.71 162.29 35.85 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.191 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.33 45.62 2.32 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.343 -0.543 . . . . 0.0 112.434 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.7 t70 -130.57 -63.17 0.89 Allowed 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.385 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 48.5 t 122.7 -68.24 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 O-C-N 126.039 2.087 . . . . 0.0 108.553 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -59.58 -31.3 69.32 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -64.9 -50.26 67.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.27 -43.45 87.93 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.61 -54.78 42.01 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -49.35 -50.99 37.46 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -49.06 -59.97 3.18 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.597 1.186 . . . . 0.0 108.579 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -46.5 -36.08 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 123.712 0.632 . . . . 0.0 112.349 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -80.69 -65.93 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.686 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 m -45.7 -41.65 10.77 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -101.51 -31.26 10.96 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.47 -69.87 0.82 Allowed 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 p -37.39 -44.75 0.65 Allowed 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -30.41 -42.77 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 125.405 1.691 . . . . 0.0 113.895 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -121.55 59.68 0.96 Allowed 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 113.538 -1.665 . . . . 0.0 107.692 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 117.557 2.428 . . . . 0.0 117.557 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 119.307 -0.377 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.4 p -94.28 141.65 28.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.388 1.09 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' HB2' HD22 ' A' ' 18' ' ' LEU . 12.5 m-85 -115.92 168.57 9.95 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 112.324 -2.216 . . . . 0.0 106.605 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -131.6 128.5 39.3 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 t -41.54 -65.81 0.41 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 108.61 1.57 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.792 0 O-C-N 126.309 2.256 . . . . 0.0 112.143 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -119.86 -54.7 2.13 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 30.5 p -115.09 -169.08 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 68.78 0.81 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 89.7 t80 -114.02 104.37 12.08 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -114.6 117.9 32.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -127.48 162.75 25.65 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.832 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.2 46.4 2.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.27 -59.29 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.376 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m 32.01 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.726 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 18' ' ' LEU . 17.2 m -64.73 165.12 10.92 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 119.411 -2.056 . . . . 0.0 109.058 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -98.5 62.08 1.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 122.381 2.355 . . . . 0.0 116.838 0.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 3' ' ' TYR . 41.6 tp -101.98 -37.33 8.26 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -79.93 -31.74 40.09 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -85.08 5.36 29.95 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 122.767 1.27 . . . . 0.0 109.556 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 26.6 t60 -102.04 -65.6 0.97 Allowed 'General case' 0 C--N 1.3 -1.545 1 N-CA-C 99.002 -4.444 . . . . 0.0 99.002 178.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' HIS . 78.9 mt -41.34 -48.03 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -108.16 109.79 21.28 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 t -125.11 68.02 1.12 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 123.694 2.952 . . . . 0.0 118.273 0.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 21' ' ' HIS . 9.7 mptt -103.72 -33.5 8.92 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 112.152 -2.295 . . . . 0.0 107.193 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.92 -50.24 2.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.351 1.032 . . . . 0.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -120.65 83.7 2.11 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.879 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.622 ' HD3' ' H ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -101.3 -157.54 0.62 Allowed 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.804 2.042 . . . . 0.0 109.819 0.477 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -118.71 99.53 6.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.487 0.492 . . . . 0.0 111.249 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 tttm . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 122.419 1.104 . . . . 0.0 108.065 179.487 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p -137.58 118.71 14.46 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -130.82 171.24 13.37 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -125.78 166.45 16.78 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.865 0.728 . . . . 0.0 109.22 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 5.4 t -83.63 -60.65 2.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.155 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 17.6 tt0 120.32 -35.39 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.829 0 O-C-N 125.711 1.882 . . . . 0.0 110.408 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -98.23 -51.96 3.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.712 -1.131 . . . . 0.0 112.879 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.22 -162.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.818 0.818 . . . . 0.0 111.221 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -99.49 55.17 0.97 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.1 t80 -116.14 92.69 3.97 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 123.318 1.532 . . . . 0.0 107.989 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -115.67 110.73 19.57 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 179.718 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 66.4 m -115.95 177.68 4.59 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.684 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.79 41.69 3.09 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.265 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.0 t70 -125.78 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.833 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 19.6 t 110.94 -49.98 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 126.532 1.933 . . . . 0.0 111.166 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -60.04 -37.99 81.41 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.624 -1.23 . . . . 0.0 108.826 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -97.32 22.42 8.73 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 tp -106.28 -49.5 3.34 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -68.27 -42.38 79.66 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -54.03 -59.77 4.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -51.75 -33.69 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -70.92 -47.44 59.08 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -72.4 -36.84 68.74 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 124.148 0.905 . . . . 0.0 112.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -95.18 -43.7 7.97 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -114.97 38.21 3.24 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 123.571 0.544 . . . . 0.0 112.365 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t 56.16 170.7 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.629 ' HZ2' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.19 -173.1 3.33 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.878 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -105.96 160.75 15.04 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.409 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.299 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.3 tptm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.7 p -96.33 144.24 26.67 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.8 155.58 39.16 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.64 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.23 142.87 50.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -76.81 146.48 37.8 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.319 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.25 34.97 3.22 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.155 0.979 . . . . 0.0 111.741 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -133.4 -54.21 0.9 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 20.3 p -124.75 -167.38 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -109.78 64.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.037 1.399 . . . . 0.0 107.496 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.456 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 63.7 t80 -110.62 113.45 26.07 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 112.17 -2.286 . . . . 0.0 108.151 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' HB2' HH11 ' A' ' 11' ' ' ARG . 12.3 ptm180 -119.99 133.02 55.67 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 54.1 m -141.5 171.14 14.47 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.767 -1.561 . . . . 0.0 108.163 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.19 43.99 1.62 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.45 165.66 25.71 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 113.741 -1.572 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -115.33 -46.98 2.86 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ASN . 19.0 m -121.18 114.38 21.33 Favored 'General case' 0 C--N 1.298 -1.656 1 N-CA-C 93.484 -6.487 . . . . 0.0 93.484 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' HB ' ' A' ' 20' ' ' THR . 74.0 m-80 -97.36 51.33 1.09 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 121.424 3.861 . . . . 0.0 121.424 1.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 28.4 tp -86.33 -39.99 15.91 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.23 -40.18 93.71 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 96.9 m -62.67 -38.53 90.72 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 41.0 t60 -56.93 -60.3 3.78 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -40.39 -50.06 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 123.82 0.7 . . . . 0.0 111.112 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.66 -62.86 1.38 Allowed 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 m -54.84 -37.57 66.34 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 21' ' ' HIS . 34.6 mmtp -95.61 -38.86 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 124.511 1.132 . . . . 0.0 112.141 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -115.27 70.48 0.74 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.44 1.114 . . . . 0.0 110.021 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.1 p -92.14 -170.27 2.48 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.402 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -116.25 -53.79 2.51 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.478 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -119.39 66.72 0.8 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 122.518 1.151 . . . . 0.0 109.066 179.634 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 13' ' ' ALA . 71.7 p -114.68 175.56 5.43 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 124.261 0.976 . . . . 0.0 113.175 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -115.54 151.23 35.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -118.34 133.01 56.24 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.329 1.061 . . . . 0.0 113.705 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.62 163.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 112.792 -2.004 . . . . 0.0 112.433 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -116.18 21.22 13.84 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.45 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -129.43 -58.32 1.12 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.732 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.98 -160.96 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.47 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -110.15 63.57 0.61 Allowed 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.608 1.194 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -106.73 128.5 54.27 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -133.86 131.42 39.15 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.832 0.708 . . . . 0.0 110.5 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 158.29 43.8 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.134 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' A' ' 2' ' ' THR . . . -115.0 41.91 2.3 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 123.841 0.713 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . 16.5 t70 -125.23 -42.09 2.02 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.332 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m 5.81 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 p 5.46 -83.53 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.984 2 N-CA-C 130.023 7.045 . . . . 0.0 130.023 0.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 74.2 m-20 -30.89 -57.64 0.22 Allowed 'General case' 0 N--CA 1.53 3.556 0 CA-C-N 123.151 2.705 . . . . 0.0 115.5 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -47.38 -35.47 8.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.13 -46.43 42.55 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.4 m -54.38 -46.14 72.99 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.446 ' ND1' ' HG3' ' A' ' 25' ' ' LYS . 48.6 t60 -49.06 -61.72 1.92 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.58 -41.65 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 123.918 0.762 . . . . 0.0 110.583 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HG2' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -64.87 -46.13 83.09 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.929 179.677 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 23' ' ' LYS . 18.2 p -94.91 8.84 41.44 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' ND1' ' A' ' 21' ' ' HIS . 41.7 mmtm -130.49 -42.8 1.16 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 120.519 0.2 . . . . 0.0 111.083 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -122.15 56.35 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -36.69 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -121.89 70.14 0.95 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.712 0.768 . . . . 0.0 109.126 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 22.8 mm-40 65.12 -169.84 0.2 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.482 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 36.1 mtmm . . . . . 0 N--CA 1.512 2.672 0 O-C-N 125.672 1.858 . . . . 0.0 110.151 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 t -97.73 158.21 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 123.397 1.57 . . . . 0.0 113.372 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -125.64 151.86 45.96 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 110.167 -3.197 . . . . 0.0 106.635 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -122.11 163.0 20.24 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 10' ' ' PHE . 43.5 t -92.0 178.28 5.93 Favored 'General case' 0 N--CA 1.504 2.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.208 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -119.57 -19.41 8.13 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -96.16 -51.17 4.52 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.309 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 15.2 p -117.55 -163.93 0.96 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 124.189 0.931 . . . . 0.0 109.306 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 53.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.2 t80 -98.69 98.59 9.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -114.82 109.85 18.79 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 111.946 -2.388 . . . . 0.0 104.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -124.7 178.03 5.66 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 113.136 -1.847 . . . . 0.0 111.127 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.34 37.71 3.8 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.751 0.786 . . . . 0.0 109.36 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -133.07 149.1 52.18 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -124.18 13.94 9.02 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.301 0.572 . . . . 0.0 111.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -114.58 -34.96 5.04 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -98.23 16.43 21.4 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 22.3 tp -106.09 -46.34 4.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.81 -38.91 80.25 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.453 ' HA ' ' HZ3' ' A' ' 23' ' ' LYS . 60.3 m -64.51 -47.04 80.38 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.9 t60 -43.77 -57.58 3.16 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.47 -53.43 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.863 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HZ3' ' HA ' ' A' ' 20' ' ' THR . 6.5 ttpm? -53.97 -30.9 48.88 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -101.91 -28.99 12.09 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -102.02 -15.41 16.79 Favored 'General case' 0 N--CA 1.503 2.186 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -122.44 -46.57 2.15 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -114.53 176.56 4.99 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.625 1.203 . . . . 0.0 113.132 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -121.13 72.02 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 114.191 -1.368 . . . . 0.0 107.308 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 36.5 tt0 -108.76 -34.65 6.62 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.587 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.51 2.563 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 179.77 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 2' ' ' THR . 28.0 tptt . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 26.5 m 95.35 163.17 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.882 0 C-N-CA 125.452 1.501 . . . . 0.0 108.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.05 148.23 52.21 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -115.94 163.68 15.53 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 124.164 0.915 . . . . 0.0 108.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.37 153.75 19.67 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.722 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -112.74 35.27 3.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.451 1.12 . . . . 0.0 109.468 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' CE2' HG23 ' A' ' 22' ' ' ILE . 94.8 m-85 -139.59 -57.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.706 -1.588 . . . . 0.0 106.892 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -122.7 -161.07 0.92 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.286 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -107.04 58.9 0.63 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.676 1.226 . . . . 0.0 109.066 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -108.41 104.41 13.75 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -108.89 134.32 51.72 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.864 -1.516 . . . . 0.0 107.164 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.577 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 11.9 m -137.82 160.81 38.26 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.978 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.02 46.46 2.1 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.744 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -126.03 -57.32 1.42 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.6 m 116.58 -63.18 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 O-C-N 126.404 2.315 . . . . 0.0 108.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -54.98 -54.02 48.3 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -39.55 -50.3 2.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 125.625 1.828 . . . . 0.0 110.164 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.34 -50.33 63.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.866 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -55.51 -48.79 74.06 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -57.21 -52.78 63.93 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.86 -54.86 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.404 HG23 ' CE2' ' A' ' 7' ' ' TYR . 96.6 mt -51.83 -49.59 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.45 -39.68 88.99 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -79.99 -38.61 31.8 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -91.31 -42.28 10.46 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 122.854 0.462 . . . . 0.0 110.977 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -107.66 61.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 123.962 0.789 . . . . 0.0 109.541 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.1 m -1.64 93.05 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 112.567 -2.106 . . . . 0.0 115.675 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 5.44 -64.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 -50.21 2.92 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt . . . . . 0 N--CA 1.51 2.572 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -179.761 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.046 0.451 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -119.36 -176.37 3.13 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -114.53 121.84 44.72 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -105.82 154.99 19.75 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.279 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.3 t -102.52 135.92 43.28 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 103.965 -2.605 . . . . 0.0 103.965 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -110.45 41.02 1.84 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.465 1.103 . . . . 0.0 111.142 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -131.85 -53.02 0.99 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -123.1 -158.03 0.77 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 124.47 1.106 . . . . 0.0 108.651 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -106.53 55.89 0.66 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.605 0.716 . . . . 0.0 110.58 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -109.99 119.85 40.61 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.24 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.76 17.6 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -138.88 178.41 7.17 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.726 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.66 39.31 4.0 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.291 0.567 . . . . 0.0 109.767 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.2 85.79 2.2 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.027 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 t -43.64 -53.52 5.66 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.632 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 m -47.22 -42.71 20.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 124.018 0.824 . . . . 0.0 112.208 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -77.23 -46.56 22.79 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.222 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.19 -50.19 50.15 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -58.68 -44.57 90.29 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 87.3 m -61.15 -44.6 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -53.38 -56.99 12.25 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -44.33 -51.66 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 123.953 0.783 . . . . 0.0 111.893 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -62.92 -54.74 33.85 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.69 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 m -51.49 -46.84 63.32 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.9 -32.85 13.74 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -116.25 73.87 0.87 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.968 1.366 . . . . 0.0 108.952 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 m -83.12 78.21 9.63 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 111.902 -2.408 . . . . 0.0 107.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 113.19 -63.75 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.72 0 C-N-CA 127.287 2.235 . . . . 0.0 106.601 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -17.56 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 126.328 2.268 . . . . 0.0 115.542 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.495 1.799 0 O-C-N 124.424 1.077 . . . . 0.0 109.951 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -103.71 126.43 50.85 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -122.0 147.16 46.41 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.606 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -118.52 150.94 38.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.387 1.055 . . . . 0.0 110.677 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.6 t -84.52 159.16 20.76 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.387 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -117.17 38.32 3.58 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.541 0.686 . . . . 0.0 110.558 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.488 ' CE2' HG23 ' A' ' 22' ' ' ILE . 86.3 m-85 -142.16 -55.82 0.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.645 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 20.6 p -116.22 -150.14 0.46 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.075 -1.421 . . . . 0.0 110.284 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.92 -32.89 14.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.697 0.623 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 56.0 t80 -19.16 114.46 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 O-C-N 125.308 1.63 . . . . 0.0 114.562 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -128.5 131.41 48.32 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 m -146.59 170.5 16.8 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.297 0.998 . . . . 0.0 111.898 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.5 31.2 5.59 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 10.3 t0 -129.08 81.3 2.02 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -39.7 -52.82 2.25 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.293 0.37 . . . . 0.0 111.73 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m -49.59 -54.61 17.32 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 123.908 0.755 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 62.1 t30 -57.35 -48.27 79.44 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 tp -54.56 -49.89 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -57.45 -50.13 74.01 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 118.015 -1.474 . . . . 0.0 107.438 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -50.25 -56.44 11.12 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -42.7 -59.22 2.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.565 1.166 . . . . 0.0 108.591 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 7' ' ' TYR . 79.6 mt -53.12 -41.2 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.777 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -84.22 -13.72 51.93 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -108.92 -17.44 13.92 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 117.964 0.347 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.16 -42.04 4.27 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.218 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -117.1 -110.09 0.36 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.299 0.999 . . . . 0.0 112.378 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 69.2 m 110.96 170.54 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 128.228 2.611 . . . . 0.0 108.945 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' SER . 24.7 tptp 116.59 -65.09 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.507 0 C-N-CA 127.421 2.288 . . . . 0.0 110.171 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.81 -144.69 0.25 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 124.041 0.838 . . . . 0.0 109.664 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 pttt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.7 p -119.81 173.8 6.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 124.187 0.929 . . . . 0.0 109.01 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.6 148.26 43.54 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -127.31 151.85 48.21 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.73 163.47 26.12 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.526 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.93 19.63 17.12 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.932 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -137.64 -57.4 0.68 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.609 0.568 . . . . 0.0 111.54 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 19.7 p -108.29 -169.2 1.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.055 0.847 . . . . 0.0 110.403 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.67 59.37 1.25 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.9 t80 -112.19 122.37 47.55 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.815 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -120.77 146.17 46.79 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 103.498 -2.778 . . . . 0.0 103.498 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.558 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.92 170.17 16.36 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.087 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.22 19.44 17.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.268 0.98 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.88 148.79 50.19 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 23.12 12.46 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.962 0.887 . . . . 0.0 112.65 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -121.96 -41.68 2.43 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -77.32 -48.88 16.25 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.502 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 49.0 tp -50.48 -37.7 40.02 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 119.907 1.231 . . . . 0.0 112.622 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -70.02 -47.77 60.76 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.6 m -54.57 -44.31 72.84 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 37.1 t60 -47.23 -60.54 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.8 mt -47.02 -57.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -51.87 -47.98 64.26 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -77.45 -37.42 51.55 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 21' ' ' HIS . 49.9 mttm -94.33 -30.1 14.69 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -117.0 63.07 0.72 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.629 0.728 . . . . 0.0 112.923 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.5 t -125.03 27.95 6.55 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.362 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -131.57 -46.6 0.97 Allowed 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.642 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 28.44 -75.58 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 126.639 2.462 . . . . 0.0 114.316 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.3 mmtp . . . . . 0 N--CA 1.506 2.352 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -125.61 169.39 12.53 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.579 1.181 . . . . 0.0 113.793 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -124.32 132.04 53.54 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 101.996 -3.335 . . . . 0.0 101.996 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.59 157.0 28.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.374 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.53 168.92 17.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.099 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -121.18 15.16 11.44 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 123.403 0.439 . . . . 0.0 111.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -125.12 -55.5 1.57 Allowed 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.97 -170.29 1.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.464 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.4 67.03 0.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 123.575 1.655 . . . . 0.0 110.252 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.4 t80 -114.75 112.2 22.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 111.68 -2.509 . . . . 0.0 106.959 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.616 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -111.01 136.4 50.07 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.58 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -138.0 178.1 7.38 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.423 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.69 16.92 14.47 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -129.83 163.14 26.93 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.302 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 t -126.52 34.65 4.77 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 122.2 1.0 . . . . 0.0 112.009 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -132.6 -47.78 0.89 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -69.16 -41.15 77.62 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.33 -21.49 65.65 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 123.511 0.507 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -79.84 -51.21 9.42 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 m -52.45 -49.52 64.47 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -40.13 -60.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.617 1.198 . . . . 0.0 107.871 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.22 -56.13 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 123.759 0.662 . . . . 0.0 112.136 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -49.45 -36.02 21.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -100.13 -29.36 12.54 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.92 -22.03 17.68 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -126.4 61.88 1.29 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.1 t -120.93 152.87 37.97 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.207 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HG2' ' H ' ' A' ' 29' ' ' GLU . 16.2 ttpp -132.67 -171.05 2.56 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 mm-40 -112.54 176.76 4.89 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.265 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm . . . . . 0 N--CA 1.499 2.021 0 O-C-N 124.316 1.01 . . . . 0.0 109.129 -179.767 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -101.97 -172.18 2.1 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 119.975 -1.703 . . . . 0.0 109.31 0.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -121.03 137.89 54.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.825 0.703 . . . . 0.0 110.239 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -118.25 138.76 52.13 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -61.21 163.11 6.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -116.16 28.51 8.55 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -137.99 -58.38 0.66 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.9 p -116.3 -166.72 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.88 62.19 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.438 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -111.66 117.14 32.09 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 113.004 -1.907 . . . . 0.0 106.696 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.52 122.22 42.14 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 124.549 1.156 . . . . 0.0 107.886 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -142.15 169.66 17.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 123.649 0.593 . . . . 0.0 111.195 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.19 36.96 4.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -130.17 155.96 45.37 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.697 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -123.99 18.7 9.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.727 0.642 . . . . 0.0 111.046 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.8 p -120.85 -33.5 3.75 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -105.61 7.88 32.97 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.8 tp -104.82 -40.4 5.97 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 10.9 mptt -70.56 -38.39 74.12 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 104.775 -2.305 . . . . 0.0 104.775 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -68.51 -45.08 73.25 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -45.82 -61.49 1.7 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.4 mt -49.38 -58.49 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.73 -44.81 38.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.0 p -85.19 -37.24 20.36 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -82.74 -30.34 29.1 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -121.94 -55.13 1.9 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 123.653 0.596 . . . . 0.0 111.035 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 p 96.06 166.72 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.389 0 O-C-N 126.649 2.468 . . . . 0.0 111.739 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -134.37 -81.87 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 125.669 1.588 . . . . 0.0 109.828 -0.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 30' ' ' LYS . 31.5 tt0 -133.05 -178.64 5.06 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 114.141 -1.391 . . . . 0.0 107.563 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 29' ' ' GLU . 60.5 pttt . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 122.461 1.124 . . . . 0.0 109.656 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.1 p -103.69 166.34 10.48 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.355 -1.466 . . . . 0.0 107.953 -0.015 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -121.53 129.14 52.72 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -117.39 138.03 52.08 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 124.441 1.088 . . . . 0.0 108.623 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -58.44 158.25 7.74 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -117.27 28.51 8.44 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 123.964 0.79 . . . . 0.0 110.583 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -133.53 -57.59 0.89 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -119.56 -162.65 0.93 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.282 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -114.33 65.01 0.66 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.97 1.367 . . . . 0.0 110.28 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 34.9 t80 -103.1 124.7 49.05 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 179.555 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.75 132.93 56.15 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 123.758 0.661 . . . . 0.0 110.961 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.1 m -145.63 169.4 18.51 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.072 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.29 44.26 2.71 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.3 t70 -112.68 -65.29 1.2 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.339 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.3 t 108.19 -65.43 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 125.84 1.962 . . . . 0.0 107.103 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -51.3 -43.79 61.75 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.762 0.791 . . . . 0.0 109.794 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -82.42 -12.21 58.04 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.131 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.85 -42.49 24.17 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 101.518 -3.512 . . . . 0.0 101.518 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.49 -45.6 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 m -52.74 -56.83 12.79 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -42.22 -57.97 2.33 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.12 -49.89 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.09 -32.41 72.96 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -93.02 -29.42 15.83 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -101.93 -27.04 13.2 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -179.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.414 ' O ' ' CB ' ' A' ' 27' ' ' SER . 94.4 m-70 -119.3 -45.47 2.54 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -179.423 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 26' ' ' HIS . 46.8 t 125.91 173.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 O-C-N 126.308 2.255 . . . . 0.0 105.445 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -113.83 12.52 18.23 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.432 0.457 . . . . 0.0 109.834 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -96.54 159.6 14.85 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.544 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.9 p -105.56 163.87 12.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 123.606 0.566 . . . . 0.0 109.522 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -129.1 146.26 51.09 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 123.425 0.453 . . . . 0.0 111.717 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 55.5 tp60 -120.87 159.51 25.35 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.523 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.448 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 51.4 t -93.29 144.6 25.15 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -107.35 32.84 4.36 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 124.413 1.071 . . . . 0.0 109.199 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 29.8 m-85 -134.09 -57.73 0.86 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -118.73 -162.72 0.91 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.534 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.81 58.93 0.73 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.335 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -109.47 125.04 52.03 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -129.61 130.6 45.86 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.4 m -146.34 171.78 14.49 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.31 47.79 1.94 Allowed 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.749 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' SER . 64.6 t0 -125.19 -72.92 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.481 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.5 t 108.79 -48.31 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.581 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 t -60.9 -32.83 72.29 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -105.95 21.26 17.61 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 121.883 0.849 . . . . 0.0 110.304 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.11 -41.38 4.94 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.102 -3.295 . . . . 0.0 102.102 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -75.08 -20.75 59.36 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.29 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.6 m -90.18 -4.71 57.08 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 122.224 1.011 . . . . 0.0 108.296 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.33 -67.25 0.86 Allowed 'General case' 0 C--N 1.301 -1.541 1 N-CA-C 97.858 -4.868 . . . . 0.0 97.858 178.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -39.35 -50.37 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' THR . 45.5 tttm -107.47 106.43 16.83 Favored 'General case' 0 N--CA 1.489 1.512 1 N-CA-C 100.094 -4.039 . . . . 0.0 100.094 179.343 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 10.1 t -119.17 66.83 0.79 Allowed 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 120.912 3.671 . . . . 0.0 120.912 0.415 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -100.71 -34.17 9.96 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 112.718 -2.037 . . . . 0.0 108.265 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -125.6 43.68 3.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 124.081 0.863 . . . . 0.0 110.314 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 p -7.04 96.93 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -98.37 61.41 1.42 Allowed 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 122.634 1.207 . . . . 0.0 110.722 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -127.46 161.42 28.77 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 112.573 -2.103 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 122.57 1.176 . . . . 0.0 110.301 179.847 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -118.52 173.66 6.7 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.357 1.035 . . . . 0.0 110.24 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -113.76 144.97 42.08 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -117.35 139.51 50.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.778 1.299 . . . . 0.0 110.912 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.36 150.12 47.65 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.208 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -109.38 28.01 8.96 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.98 0.8 . . . . 0.0 110.474 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -128.2 -54.73 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.31 -162.88 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.403 -1.271 . . . . 0.0 107.796 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -108.7 61.41 0.6 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.384 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.469 ' CE1' ' OG ' ' A' ' 12' ' ' SER . 31.3 t80 -106.23 128.85 54.25 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.188 -1.824 . . . . 0.0 106.252 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.74 132.6 47.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 123.972 0.795 . . . . 0.0 109.564 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 10' ' ' PHE . 60.7 m -144.59 153.88 42.25 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.79 45.91 1.75 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.615 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.9 t70 -120.33 -59.67 1.75 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.43 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 34.3 t 113.33 -53.14 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.215 0 O-C-N 126.34 2.275 . . . . 0.0 105.462 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -58.26 -51.47 69.63 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -51.9 -46.24 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.008 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 38.5 tp -64.55 -52.07 59.56 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -57.74 -47.95 81.0 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -57.94 -45.88 85.93 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 57.6 t60 -51.56 -56.73 11.85 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -47.86 -46.67 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -69.78 -44.1 70.82 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -68.24 -38.56 81.95 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 4.0 mmmp? -102.41 -37.8 7.87 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -179.476 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -111.89 27.34 9.75 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -129.62 -86.43 0.53 Allowed 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.713 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -126.17 146.31 50.01 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 124.275 0.985 . . . . 0.0 109.481 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -131.18 60.41 1.66 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.975 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.5 mttm . . . . . 0 N--CA 1.499 2.009 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.328 179.671 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.6 mttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 t -97.05 174.92 6.51 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 119.931 -1.731 . . . . 0.0 109.053 0.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -122.74 146.59 47.37 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 113.178 -1.828 . . . . 0.0 108.82 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -124.0 157.94 33.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.088 0.868 . . . . 0.0 109.841 -179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.5 t -81.69 162.32 23.05 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.328 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -124.11 40.59 3.7 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 122.428 1.109 . . . . 0.0 109.736 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 22' ' ' ILE . 84.0 m-85 -140.36 -53.88 0.51 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 113.526 -1.67 . . . . 0.0 106.516 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -120.74 -164.1 1.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.416 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -109.34 59.8 0.6 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.716 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.4 t80 -105.52 125.89 51.5 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 112.868 -1.969 . . . . 0.0 107.265 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -128.51 129.74 46.49 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.692 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.42 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 39.9 m -142.99 161.61 37.67 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.369 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.01 22.84 15.36 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.206 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.79 159.38 24.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.3 t -110.64 -53.56 2.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.0 m -52.68 -38.0 59.77 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.662 0.601 . . . . 0.0 111.005 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -91.73 6.04 47.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 45.1 tp -106.15 -45.69 4.26 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -63.93 -37.96 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m -65.97 -46.65 77.29 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 60.6 t60 -46.89 -56.23 6.69 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.4 HG23 ' CE2' ' A' ' 7' ' ' TYR . 82.2 mt -56.45 -36.33 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.732 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -92.12 3.56 55.04 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -120.15 -38.04 2.98 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -94.53 -35.8 12.12 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.771 1.229 . . . . 0.0 110.714 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -110.55 60.77 0.61 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 122.317 1.056 . . . . 0.0 110.728 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -126.21 50.5 1.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -5.12 86.67 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -110.11 53.34 0.7 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 tptm . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 112.911 -1.95 . . . . 0.0 108.337 -179.927 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.4 pttt . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 m -113.03 158.99 19.61 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 122.305 1.05 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -130.22 144.03 51.13 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.186 -2.279 . . . . 0.0 107.435 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -121.58 138.99 54.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.236 0.96 . . . . 0.0 111.62 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 50.5 t -65.48 146.17 55.21 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.695 -1.139 . . . . 0.0 108.609 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -107.84 36.95 2.57 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.445 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 86.5 m-85 -136.51 -56.45 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.671 -1.604 . . . . 0.0 107.738 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.44 -165.0 1.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 59.07 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 122.832 1.301 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 70.5 t80 -110.57 126.67 54.68 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 112.873 -1.967 . . . . 0.0 106.232 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -121.36 141.21 51.17 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.638 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.5 m -140.3 159.25 42.61 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.12 48.65 1.45 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.167 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 12.7 t70 -130.68 -64.84 0.82 Allowed 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.945 179.622 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 47.4 t 117.97 -66.95 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 126.891 2.076 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -58.8 -27.46 65.07 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.146 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.46 -40.69 57.15 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.5 tp -60.42 -49.63 76.8 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.983 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -55.69 -45.47 77.8 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 m -56.07 -55.3 34.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -40.35 -58.11 1.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -49.27 -53.27 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.42 -21.26 66.21 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -179.461 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -109.46 -12.31 14.72 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -107.02 -34.52 7.15 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -179.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -106.31 -48.04 3.66 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -110.44 174.89 5.65 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 124.662 1.226 . . . . 0.0 112.237 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -128.77 99.72 5.43 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 19.15 92.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.449 0 O-C-N 125.204 1.565 . . . . 0.0 114.402 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? . . . . . 0 N--CA 1.495 1.803 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.412 -179.564 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.06 162.41 28.83 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.7 t -98.23 149.65 22.35 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -110.0 39.88 2.05 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-O 122.453 1.121 . . . . 0.0 109.377 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.71 -56.38 0.68 Allowed 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 113.086 -1.87 . . . . 0.0 107.25 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -125.09 -160.43 0.95 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -103.55 57.06 0.74 Allowed 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.036 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -109.08 96.69 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.757 -1.565 . . . . 0.0 106.982 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.41 103.93 11.26 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.729 -2.032 . . . . 0.0 107.978 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -115.5 157.84 23.45 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 112.657 -2.065 . . . . 0.0 108.192 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.22 38.96 1.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.295 1.045 . . . . 0.0 108.614 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -138.32 155.46 48.55 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 112.847 -1.979 . . . . 0.0 105.938 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 t -107.64 -48.58 3.39 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -51.74 -35.25 42.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 123.785 0.678 . . . . 0.0 111.204 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -99.36 10.25 41.77 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -108.28 -44.18 4.19 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.83 -47.66 65.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -58.01 -44.86 87.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -49.27 -63.3 1.14 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 124.467 1.104 . . . . 0.0 108.22 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.1 mt -44.14 -46.48 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.85 -50.14 65.63 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.6 m -79.61 -12.69 59.82 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.0 mptp? -113.87 -29.69 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.502 2.155 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.59 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -128.07 171.63 11.7 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 t -97.52 150.59 20.92 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.102 -2.317 . . . . 0.0 107.115 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -120.02 36.25 4.59 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.238 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -131.83 -53.61 0.99 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.04 -158.03 0.79 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.35 55.65 0.69 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.754 1.264 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -103.27 143.06 33.14 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 113.566 -1.652 . . . . 0.0 107.182 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -147.65 134.22 19.83 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.201 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -148.5 153.6 38.68 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.08 41.87 3.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 8.5 t70 -114.48 -65.45 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 112.708 -2.042 . . . . 0.0 107.926 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 41.5 t 111.13 -54.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 126.035 2.085 . . . . 0.0 106.747 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -60.46 -42.09 95.46 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -68.5 -28.94 67.45 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 124.06 0.85 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.15 -52.98 8.97 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -61.56 -39.48 91.27 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.714 -1.194 . . . . 0.0 108.387 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.4 m -64.29 -49.3 72.32 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -43.01 -58.23 2.52 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.31 1.006 . . . . 0.0 108.67 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -51.38 -54.52 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -57.13 -20.15 24.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -108.3 -31.04 8.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -29.09 14.91 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 . . . . . 0 N--CA 1.495 1.8 0 O-C-N 123.667 0.604 . . . . 0.0 109.762 -179.594 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 160.78 21.42 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 39.6 t -92.03 126.86 37.28 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.618 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -95.95 43.62 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.988 1.375 . . . . 0.0 112.269 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.491 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 76.0 m-85 -129.02 -54.68 1.2 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -126.24 -164.24 1.3 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.995 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.25 61.71 0.62 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 68.0 t80 -117.01 130.6 56.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.067 -1.879 . . . . 0.0 108.674 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -118.13 144.26 45.82 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.664 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 3.1 m -140.11 -24.14 0.82 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 119.054 -1.059 . . . . 0.0 113.56 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 33.46 45.82 0.1 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.706 1.254 . . . . 0.0 114.248 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -126.18 -61.07 1.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.281 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 m 111.97 -65.15 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 126.995 2.684 . . . . 0.0 109.897 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -51.46 -49.35 61.93 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 122.601 1.191 . . . . 0.0 109.974 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.99 -45.99 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.491 -1.686 . . . . 0.0 109.713 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -61.71 -45.65 93.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.6 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -54.99 -53.24 58.27 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -54.72 -53.25 57.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -43.03 -54.15 4.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.528 1.142 . . . . 0.0 109.526 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.3 -46.02 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 C-N-CA 119.74 -0.784 . . . . 0.0 113.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -80.09 1.88 26.19 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -120.0 -36.23 3.32 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.719 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -98.17 -36.55 10.02 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.219 1.007 . . . . 0.0 113.159 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.501 2.089 0 CA-C-O 122.347 1.07 . . . . 0.0 108.863 -179.779 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.411 HE22 ' N ' ' A' ' 10' ' ' PHE . 72.4 tp60 -108.43 128.13 54.51 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 51.0 t -31.62 -60.87 0.23 Allowed 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 36.6 tt0 116.67 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 O-C-N 125.808 1.943 . . . . 0.0 108.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -95.29 -55.22 3.13 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 113.911 -1.495 . . . . 0.0 112.982 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -113.25 -165.83 1.03 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 123.688 0.618 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -100.02 50.93 0.91 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.735 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 79.0 t80 -107.85 114.66 28.75 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.595 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -116.19 127.89 55.16 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.622 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.4 m -132.92 163.74 28.49 Favored 'General case' 0 N--CA 1.5 2.041 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.44 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.15 46.9 2.58 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' SER . 60.1 t0 -122.41 -69.63 0.82 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 43.2 t 115.2 -58.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 O-C-N 126.451 2.344 . . . . 0.0 107.12 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.07 -11.06 7.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 123.88 0.738 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -102.18 -49.15 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.07 -42.85 77.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 20' ' ' THR . 20.4 pttp -59.05 -45.21 91.36 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.164 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.498 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 99.8 m -58.39 -51.25 70.59 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -47.17 -56.55 6.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 125.014 1.446 . . . . 0.0 110.59 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.89 -25.33 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -90.78 -6.96 53.67 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -115.12 -37.17 4.18 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 123.816 0.698 . . . . 0.0 111.622 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -93.48 -40.35 10.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 125.059 1.475 . . . . 0.0 111.573 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 . . . . . 0 N--CA 1.501 2.077 0 CA-C-O 123.109 1.433 . . . . 0.0 111.315 -179.491 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -116.47 151.86 35.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.79 166.42 22.06 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -121.48 20.84 11.12 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.867 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.2 -50.76 1.2 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.244 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -119.8 -164.96 1.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.841 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 57.73 0.61 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.989 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 74.7 t80 -110.53 137.88 47.64 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 -143.01 140.03 30.84 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 3.5 m -143.07 -65.13 0.39 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 12' ' ' SER . . . 118.73 26.73 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.956 0 O-C-N 125.314 1.634 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -121.62 156.14 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -130.08 27.36 5.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.751 0.786 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -127.59 -35.22 2.16 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -100.52 -37.12 8.94 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.354 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 36.7 tp -58.97 -32.49 69.7 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 118.846 -1.142 . . . . 0.0 108.991 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -67.53 -46.04 73.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 m -56.53 -47.05 80.22 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.5 t60 -48.31 -60.81 2.37 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.4 mt -48.26 -46.26 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.01 -13.79 61.3 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.4 m -103.32 -35.67 8.32 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.84 -32.64 11.6 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 . . . . . 0 N--CA 1.5 2.052 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.391 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.481 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 50.6 m-85 . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.065 0.459 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -123.29 143.37 50.11 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.53 151.61 36.3 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -115.4 38.93 3.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 124.268 0.98 . . . . 0.0 109.134 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -140.96 -57.55 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.76 -137.08 0.36 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.967 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -96.09 -49.42 5.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 123.628 0.58 . . . . 0.0 112.279 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -13.69 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 136.36 48.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 104.947 -2.242 . . . . 0.0 104.947 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -148.95 170.98 17.09 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.966 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.31 29.62 7.9 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.057 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -130.23 157.69 41.78 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 t -102.48 -56.41 2.26 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.57 -53.27 7.26 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.701 0.763 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 17' ' ' ASN . 1.2 m120 -64.14 -19.7 65.47 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 113.961 -1.472 . . . . 0.0 114.784 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 3' ' ' TYR . 61.7 tp -93.66 -38.79 11.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -62.67 -50.68 70.2 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 m -56.5 -46.02 80.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 106.951 -1.499 . . . . 0.0 106.951 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 76.0 t60 -48.13 -61.63 1.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 124.836 1.335 . . . . 0.0 107.834 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.4 mt -48.66 -48.41 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -60.66 -53.85 52.44 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -73.79 -34.06 64.49 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 2.4 mmmp? -93.87 -30.37 14.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 . . . . . 0 N--CA 1.502 2.15 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -179.473 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.585 ' HG2' ' H ' ' A' ' 5' ' ' CYS . 2.5 tt0 -123.16 178.05 5.27 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.287 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.585 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 28.6 t -105.76 153.11 22.33 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -118.24 36.48 4.35 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 124.25 0.969 . . . . 0.0 110.997 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -131.06 -58.71 1.0 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.516 -1.674 . . . . 0.0 106.987 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -118.29 -154.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.788 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 54.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.276 0.985 . . . . 0.0 111.585 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 86.6 t80 -107.99 120.35 42.06 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.063 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.43 134.56 53.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.8 m -151.56 155.55 38.7 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.2 33.52 3.45 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.626 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.85 162.23 32.97 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.275 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -122.55 65.89 0.95 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 102.626 -3.101 . . . . 0.0 102.626 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t 131.73 117.3 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 1 N-CA-C 95.649 -5.685 . . . . 0.0 95.649 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -88.16 48.58 1.66 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.472 2.767 . . . . 0.0 118.472 0.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.9 tp -99.57 -34.85 10.06 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 101.64 -3.467 . . . . 0.0 101.64 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -75.96 -49.46 17.66 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -54.18 -47.13 72.38 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -46.58 -65.8 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.2 mt -47.65 -44.12 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -60.73 -44.71 96.31 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.466 HG23 ' CD ' ' A' ' 25' ' ' LYS . 12.2 t -100.6 1.93 41.25 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' CD ' HG23 ' A' ' 24' ' ' THR . 1.1 mptm? -113.56 -33.6 5.82 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.829 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 . . . . . 0 N--CA 1.501 2.093 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -179.368 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 N--CA 1.485 1.295 0 N-CA-C 101.17 -3.641 . . . . 0.0 101.17 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.522 HE22 ' N ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -108.68 149.26 29.21 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.35 154.78 41.11 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.691 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -107.14 26.12 10.55 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -136.75 -58.48 0.73 Allowed 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.59 -161.6 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.151 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 7.1 mp0 -109.86 57.52 0.61 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.268 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.608 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 54.8 t80 -108.6 120.38 42.26 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -119.09 137.16 53.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.188 0.93 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.608 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 m -134.45 173.92 11.11 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-N 113.421 -1.718 . . . . 0.0 107.43 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.96 26.39 3.29 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 118.463 0.574 . . . . 0.0 110.732 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.5 t70 -113.25 -61.82 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.474 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 26.7 t 117.98 -61.6 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 O-C-N 126.333 2.27 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -54.66 -41.75 70.51 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.99 -52.97 63.48 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 37.3 tp -53.95 -46.37 71.58 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.179 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -56.77 -51.43 68.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.659 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.4 m -52.16 -50.85 61.0 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 59.1 t60 -46.23 -57.87 4.18 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.1 mt -49.61 -48.19 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 124.103 0.877 . . . . 0.0 111.85 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -59.02 -36.69 75.38 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -86.58 -39.21 16.39 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.48 -25.34 15.7 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.498 1.947 0 CA-C-O 121.469 0.652 . . . . 0.0 111.016 -179.625 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.488 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -117.51 157.86 25.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 124.15 0.906 . . . . 0.0 108.855 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.488 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 52.7 t -83.88 157.79 21.86 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.703 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.501 ' NE2' ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -118.56 34.75 5.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.086 0.866 . . . . 0.0 108.699 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.82 -54.51 0.72 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.07 -167.42 1.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.557 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -106.02 63.13 0.66 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.656 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -114.0 140.37 48.49 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 112.662 -2.063 . . . . 0.0 107.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -134.78 146.71 49.6 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 m -142.71 162.29 35.85 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.191 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.33 45.62 2.32 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.343 -0.543 . . . . 0.0 112.434 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.7 t70 -130.57 -63.17 0.89 Allowed 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.385 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 48.5 t 122.7 -68.24 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 O-C-N 126.039 2.087 . . . . 0.0 108.553 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -59.58 -31.3 69.32 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -64.9 -50.26 67.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.27 -43.45 87.93 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.61 -54.78 42.01 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -49.35 -50.99 37.46 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -49.06 -59.97 3.18 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.597 1.186 . . . . 0.0 108.579 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -46.5 -36.08 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 123.712 0.632 . . . . 0.0 112.349 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -80.69 -65.93 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.686 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 m -45.7 -41.65 10.77 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -101.51 -31.26 10.96 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 N--CA 1.503 2.213 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -179.858 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' HB2' HD22 ' A' ' 18' ' ' LEU . 12.5 m-85 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -131.6 128.5 39.3 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 t -41.54 -65.81 0.41 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 108.61 1.57 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.792 0 O-C-N 126.309 2.256 . . . . 0.0 112.143 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -119.86 -54.7 2.13 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 30.5 p -115.09 -169.08 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 68.78 0.81 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 89.7 t80 -114.02 104.37 12.08 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -114.6 117.9 32.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -127.48 162.75 25.65 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.832 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.2 46.4 2.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.27 -59.29 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.376 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m 32.01 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.726 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 18' ' ' LEU . 17.2 m -64.73 165.12 10.92 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 119.411 -2.056 . . . . 0.0 109.058 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -98.5 62.08 1.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 122.381 2.355 . . . . 0.0 116.838 0.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 3' ' ' TYR . 41.6 tp -101.98 -37.33 8.26 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -79.93 -31.74 40.09 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -85.08 5.36 29.95 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 122.767 1.27 . . . . 0.0 109.556 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 26.6 t60 -102.04 -65.6 0.97 Allowed 'General case' 0 C--N 1.3 -1.545 1 N-CA-C 99.002 -4.444 . . . . 0.0 99.002 178.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' HIS . 78.9 mt -41.34 -48.03 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -108.16 109.79 21.28 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 t -125.11 68.02 1.12 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 123.694 2.952 . . . . 0.0 118.273 0.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 21' ' ' HIS . 9.7 mptt -103.72 -33.5 8.92 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 112.152 -2.295 . . . . 0.0 107.193 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.494 1.773 0 O-C-N 124.351 1.032 . . . . 0.0 109.793 -179.875 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.092 -0.004 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -125.78 166.45 16.78 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.865 0.728 . . . . 0.0 109.22 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 5.4 t -83.63 -60.65 2.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.155 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 38.2 tt0 120.32 -35.39 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.829 0 O-C-N 125.711 1.882 . . . . 0.0 110.408 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -98.23 -51.96 3.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.712 -1.131 . . . . 0.0 112.879 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.22 -162.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.818 0.818 . . . . 0.0 111.221 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -99.49 55.17 0.97 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.415 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.1 t80 -116.14 92.69 3.97 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 123.318 1.532 . . . . 0.0 107.989 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -115.67 110.73 19.57 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 179.718 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 66.4 m -115.95 177.68 4.59 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.684 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.79 41.69 3.09 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.265 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.0 t70 -125.78 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.833 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 19.6 t 110.94 -49.98 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 126.532 1.933 . . . . 0.0 111.166 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -60.04 -37.99 81.41 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.624 -1.23 . . . . 0.0 108.826 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -97.32 22.42 8.73 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 tp -106.28 -49.5 3.34 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -68.27 -42.38 79.66 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -54.03 -59.77 4.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -51.75 -33.69 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -70.92 -47.44 59.08 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -72.4 -36.84 68.74 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 124.148 0.905 . . . . 0.0 112.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -95.18 -43.7 7.97 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 . . . . . 0 N--CA 1.501 2.096 0 O-C-N 123.571 0.544 . . . . 0.0 112.365 -179.757 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -123.23 142.87 50.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -76.81 146.48 37.8 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.319 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.25 34.97 3.22 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.155 0.979 . . . . 0.0 111.741 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -133.4 -54.21 0.9 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 20.3 p -124.75 -167.38 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -109.78 64.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.037 1.399 . . . . 0.0 107.496 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.456 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 63.7 t80 -110.62 113.45 26.07 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 112.17 -2.286 . . . . 0.0 108.151 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.421 ' HB2' HH11 ' A' ' 11' ' ' ARG . 12.3 ptm180 -119.99 133.02 55.67 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 54.1 m -141.5 171.14 14.47 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.767 -1.561 . . . . 0.0 108.163 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.19 43.99 1.62 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.45 165.66 25.71 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 113.741 -1.572 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -115.33 -46.98 2.86 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ASN . 19.0 m -121.18 114.38 21.33 Favored 'General case' 0 C--N 1.298 -1.656 1 N-CA-C 93.484 -6.487 . . . . 0.0 93.484 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' HB ' ' A' ' 20' ' ' THR . 74.0 m-80 -97.36 51.33 1.09 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 121.424 3.861 . . . . 0.0 121.424 1.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 28.4 tp -86.33 -39.99 15.91 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.23 -40.18 93.71 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 96.9 m -62.67 -38.53 90.72 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 41.0 t60 -56.93 -60.3 3.78 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -40.39 -50.06 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 123.82 0.7 . . . . 0.0 111.112 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.66 -62.86 1.38 Allowed 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 m -54.84 -37.57 66.34 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 21' ' ' HIS . 34.6 mmtp -95.61 -38.86 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 124.511 1.132 . . . . 0.0 112.141 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 122.44 1.114 . . . . 0.0 110.021 -179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.578 HE22 ' N ' ' A' ' 10' ' ' PHE . 46.4 tp60 -118.34 133.01 56.24 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.329 1.061 . . . . 0.0 113.705 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.62 163.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 112.792 -2.004 . . . . 0.0 112.433 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -116.18 21.22 13.84 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.45 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -129.43 -58.32 1.12 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.732 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.98 -160.96 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.47 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -110.15 63.57 0.61 Allowed 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.608 1.194 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.578 ' N ' HE22 ' A' ' 4' ' ' GLN . 34.7 t80 -106.73 128.5 54.27 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -133.86 131.42 39.15 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.832 0.708 . . . . 0.0 110.5 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 158.29 43.8 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.134 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.0 41.91 2.3 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 123.841 0.713 . . . . 0.0 109.228 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . 16.5 t70 -125.23 -42.09 2.02 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.332 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m 5.81 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 p 5.46 -83.53 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.984 2 N-CA-C 130.023 7.045 . . . . 0.0 130.023 0.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 4.7 m120 -30.89 -57.64 0.22 Allowed 'General case' 0 N--CA 1.53 3.556 0 CA-C-N 123.151 2.705 . . . . 0.0 115.5 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -47.38 -35.47 8.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.13 -46.43 42.55 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.4 m -54.38 -46.14 72.99 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.446 ' ND1' ' HG3' ' A' ' 25' ' ' LYS . 48.6 t60 -49.06 -61.72 1.92 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.58 -41.65 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 123.918 0.762 . . . . 0.0 110.583 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HG2' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -64.87 -46.13 83.09 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.929 179.677 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 23' ' ' LYS . 18.2 p -94.91 8.84 41.44 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' ND1' ' A' ' 21' ' ' HIS . 41.7 mmtm -130.49 -42.8 1.16 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 120.519 0.2 . . . . 0.0 111.083 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -179.799 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.573 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 1.9 tm0? -122.11 163.0 20.24 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.573 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 43.5 t -92.0 178.28 5.93 Favored 'General case' 0 N--CA 1.504 2.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.208 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -119.57 -19.41 8.13 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -96.16 -51.17 4.52 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.309 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 15.2 p -117.55 -163.93 0.96 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 124.189 0.931 . . . . 0.0 109.306 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 53.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.2 t80 -98.69 98.59 9.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -114.82 109.85 18.79 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 111.946 -2.388 . . . . 0.0 104.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -124.7 178.03 5.66 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 113.136 -1.847 . . . . 0.0 111.127 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.34 37.71 3.8 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.751 0.786 . . . . 0.0 109.36 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -133.07 149.1 52.18 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -124.18 13.94 9.02 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.301 0.572 . . . . 0.0 111.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -114.58 -34.96 5.04 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -98.23 16.43 21.4 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 22.3 tp -106.09 -46.34 4.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.81 -38.91 80.25 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.453 ' HA ' ' HZ3' ' A' ' 23' ' ' LYS . 60.3 m -64.51 -47.04 80.38 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.9 t60 -43.77 -57.58 3.16 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.47 -53.43 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.863 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HZ3' ' HA ' ' A' ' 20' ' ' THR . 6.5 ttpm? -53.97 -30.9 48.88 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -101.91 -28.99 12.09 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -102.02 -15.41 16.79 Favored 'General case' 0 N--CA 1.503 2.186 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -179.714 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -115.94 163.68 15.53 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 124.164 0.915 . . . . 0.0 108.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.37 153.75 19.67 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.722 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -112.74 35.27 3.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.451 1.12 . . . . 0.0 109.468 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' CE2' HG23 ' A' ' 22' ' ' ILE . 94.8 m-85 -139.59 -57.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.706 -1.588 . . . . 0.0 106.892 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -122.7 -161.07 0.92 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.286 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -107.04 58.9 0.63 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.676 1.226 . . . . 0.0 109.066 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -108.41 104.41 13.75 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -108.89 134.32 51.72 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.864 -1.516 . . . . 0.0 107.164 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.577 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 11.9 m -137.82 160.81 38.26 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.978 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.02 46.46 2.1 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.744 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -126.03 -57.32 1.42 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.6 m 116.58 -63.18 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 O-C-N 126.404 2.315 . . . . 0.0 108.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -54.98 -54.02 48.3 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -50.3 2.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 125.625 1.828 . . . . 0.0 110.164 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.34 -50.33 63.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.866 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -55.51 -48.79 74.06 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -57.21 -52.78 63.93 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.86 -54.86 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.404 HG23 ' CE2' ' A' ' 7' ' ' TYR . 96.6 mt -51.83 -49.59 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.45 -39.68 88.99 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -79.99 -38.61 31.8 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -91.31 -42.28 10.46 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 122.854 0.462 . . . . 0.0 110.977 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 . . . . . 0 N--CA 1.499 2.001 0 O-C-N 123.962 0.789 . . . . 0.0 109.541 -179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -105.82 154.99 19.75 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.279 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HG ' ' HD2' ' A' ' 7' ' ' TYR . 43.3 t -102.52 135.92 43.28 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 103.965 -2.605 . . . . 0.0 103.965 179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -110.45 41.02 1.84 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.465 1.103 . . . . 0.0 111.142 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.475 ' HD2' ' HG ' ' A' ' 5' ' ' CYS . 42.2 m-85 -131.85 -53.02 0.99 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -123.1 -158.03 0.77 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 124.47 1.106 . . . . 0.0 108.651 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -106.53 55.89 0.66 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.605 0.716 . . . . 0.0 110.58 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -109.99 119.85 40.61 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.24 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.76 17.6 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -138.88 178.41 7.17 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.726 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.66 39.31 4.0 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.291 0.567 . . . . 0.0 109.767 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.2 85.79 2.2 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.027 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 t -43.64 -53.52 5.66 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.632 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 m -47.22 -42.71 20.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 124.018 0.824 . . . . 0.0 112.208 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -77.23 -46.56 22.79 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.222 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.19 -50.19 50.15 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -58.68 -44.57 90.29 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 87.3 m -61.15 -44.6 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -53.38 -56.99 12.25 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -44.33 -51.66 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 123.953 0.783 . . . . 0.0 111.893 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -62.92 -54.74 33.85 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.69 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 m -51.49 -46.84 63.32 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.9 -32.85 13.74 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 122.968 1.366 . . . . 0.0 108.952 -179.568 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -118.52 150.94 38.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.387 1.055 . . . . 0.0 110.677 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.6 t -84.52 159.16 20.76 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.387 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -117.17 38.32 3.58 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.541 0.686 . . . . 0.0 110.558 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.488 ' CE2' HG23 ' A' ' 22' ' ' ILE . 86.3 m-85 -142.16 -55.82 0.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.645 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 20.6 p -116.22 -150.14 0.46 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.075 -1.421 . . . . 0.0 110.284 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.92 -32.89 14.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.697 0.623 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.434 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 56.0 t80 -19.16 114.46 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 O-C-N 125.308 1.63 . . . . 0.0 114.562 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -128.5 131.41 48.32 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 m -146.59 170.5 16.8 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.297 0.998 . . . . 0.0 111.898 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.5 31.2 5.59 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 10.3 t0 -129.08 81.3 2.02 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -39.7 -52.82 2.25 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.293 0.37 . . . . 0.0 111.73 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m -49.59 -54.61 17.32 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 123.908 0.755 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 2.3 t-20 -57.35 -48.27 79.44 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 tp -54.56 -49.89 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -57.45 -50.13 74.01 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 118.015 -1.474 . . . . 0.0 107.438 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -50.25 -56.44 11.12 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -42.7 -59.22 2.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.565 1.166 . . . . 0.0 108.591 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 7' ' ' TYR . 79.6 mt -53.12 -41.2 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.777 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -84.22 -13.72 51.93 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -108.92 -17.44 13.92 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 117.964 0.347 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.16 -42.04 4.27 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.218 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 124.299 0.999 . . . . 0.0 112.378 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 N--CA 1.499 1.984 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -127.31 151.85 48.21 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.73 163.47 26.12 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.526 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.93 19.63 17.12 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.932 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -137.64 -57.4 0.68 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.609 0.568 . . . . 0.0 111.54 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 19.7 p -108.29 -169.2 1.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.055 0.847 . . . . 0.0 110.403 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.67 59.37 1.25 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.558 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.9 t80 -112.19 122.37 47.55 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.815 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -120.77 146.17 46.79 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 103.498 -2.778 . . . . 0.0 103.498 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.558 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.92 170.17 16.36 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.087 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.22 19.44 17.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.268 0.98 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.88 148.79 50.19 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 23.12 12.46 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.962 0.887 . . . . 0.0 112.65 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -121.96 -41.68 2.43 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -77.32 -48.88 16.25 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.502 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 49.0 tp -50.48 -37.7 40.02 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 119.907 1.231 . . . . 0.0 112.622 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -70.02 -47.77 60.76 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.6 m -54.57 -44.31 72.84 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 37.1 t60 -47.23 -60.54 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.8 mt -47.02 -57.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -51.87 -47.98 64.26 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -77.45 -37.42 51.55 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 21' ' ' HIS . 49.9 mttm -94.33 -30.1 14.69 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 . . . . . 0 N--CA 1.496 1.849 0 CA-C-O 121.629 0.728 . . . . 0.0 112.923 -179.634 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 101.996 -3.335 . . . . 0.0 101.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.429 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 3.0 tm0? -118.59 157.0 28.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.374 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.429 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 52.5 t -72.53 168.92 17.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.099 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -121.18 15.16 11.44 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 123.403 0.439 . . . . 0.0 111.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -125.12 -55.5 1.57 Allowed 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.97 -170.29 1.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.464 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.4 67.03 0.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 123.575 1.655 . . . . 0.0 110.252 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.4 t80 -114.75 112.2 22.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 111.68 -2.509 . . . . 0.0 106.959 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.616 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -111.01 136.4 50.07 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.58 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -138.0 178.1 7.38 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.423 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.69 16.92 14.47 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -129.83 163.14 26.93 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.302 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 t -126.52 34.65 4.77 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 122.2 1.0 . . . . 0.0 112.009 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -132.6 -47.78 0.89 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -69.16 -41.15 77.62 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.33 -21.49 65.65 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 123.511 0.507 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -79.84 -51.21 9.42 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 m -52.45 -49.52 64.47 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -40.13 -60.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.617 1.198 . . . . 0.0 107.871 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.22 -56.13 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 123.759 0.662 . . . . 0.0 112.136 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -49.45 -36.02 21.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -100.13 -29.36 12.54 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.92 -22.03 17.68 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.84 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -118.25 138.76 52.13 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -61.21 163.11 6.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -116.16 28.51 8.55 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -137.99 -58.38 0.66 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.9 p -116.3 -166.72 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.88 62.19 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.438 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -111.66 117.14 32.09 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 113.004 -1.907 . . . . 0.0 106.696 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.52 122.22 42.14 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 124.549 1.156 . . . . 0.0 107.886 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -142.15 169.66 17.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 123.649 0.593 . . . . 0.0 111.195 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.19 36.96 4.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -130.17 155.96 45.37 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.697 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -123.99 18.7 9.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.727 0.642 . . . . 0.0 111.046 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.8 p -120.85 -33.5 3.75 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -105.61 7.88 32.97 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.8 tp -104.82 -40.4 5.97 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 10.9 mptt -70.56 -38.39 74.12 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 104.775 -2.305 . . . . 0.0 104.775 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -68.51 -45.08 73.25 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -45.82 -61.49 1.7 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.4 mt -49.38 -58.49 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.73 -44.81 38.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.0 p -85.19 -37.24 20.36 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -82.74 -30.34 29.1 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 . . . . . 0 N--CA 1.493 1.687 0 O-C-N 123.653 0.596 . . . . 0.0 111.035 -179.583 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.552 HE22 ' N ' ' A' ' 10' ' ' PHE . 48.0 tp60 -117.39 138.03 52.08 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 124.441 1.088 . . . . 0.0 108.623 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -58.44 158.25 7.74 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.27 28.51 8.44 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 123.964 0.79 . . . . 0.0 110.583 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -133.53 -57.59 0.89 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -119.56 -162.65 0.93 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.282 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -114.33 65.01 0.66 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.97 1.367 . . . . 0.0 110.28 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.552 ' N ' HE22 ' A' ' 4' ' ' GLN . 34.9 t80 -103.1 124.7 49.05 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.75 132.93 56.15 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 123.758 0.661 . . . . 0.0 110.961 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.1 m -145.63 169.4 18.51 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.072 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.29 44.26 2.71 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.3 t70 -112.68 -65.29 1.2 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.339 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.3 t 108.19 -65.43 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 125.84 1.962 . . . . 0.0 107.103 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -51.3 -43.79 61.75 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.762 0.791 . . . . 0.0 109.794 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -82.42 -12.21 58.04 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.131 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.85 -42.49 24.17 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 101.518 -3.512 . . . . 0.0 101.518 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.49 -45.6 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 m -52.74 -56.83 12.79 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -42.22 -57.97 2.33 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.12 -49.89 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.09 -32.41 72.96 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -93.02 -29.42 15.83 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -101.93 -27.04 13.2 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -179.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -179.423 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 N--CA 1.495 1.777 0 CA-C-O 120.978 0.418 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 55.5 tp60 -120.87 159.51 25.35 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.523 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.448 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 51.4 t -93.29 144.6 25.15 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -107.35 32.84 4.36 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 124.413 1.071 . . . . 0.0 109.199 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 29.8 m-85 -134.09 -57.73 0.86 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -118.73 -162.72 0.91 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.534 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.81 58.93 0.73 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.335 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -109.47 125.04 52.03 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -129.61 130.6 45.86 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.4 m -146.34 171.78 14.49 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.31 47.79 1.94 Allowed 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.749 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' SER . 64.6 t0 -125.19 -72.92 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.481 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.5 t 108.79 -48.31 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 t -60.9 -32.83 72.29 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -105.95 21.26 17.61 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 121.883 0.849 . . . . 0.0 110.304 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.11 -41.38 4.94 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.102 -3.295 . . . . 0.0 102.102 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -75.08 -20.75 59.36 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.6 m -90.18 -4.71 57.08 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 122.224 1.011 . . . . 0.0 108.296 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.33 -67.25 0.86 Allowed 'General case' 0 C--N 1.301 -1.541 1 N-CA-C 97.858 -4.868 . . . . 0.0 97.858 178.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -39.35 -50.37 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' THR . 45.5 tttm -107.47 106.43 16.83 Favored 'General case' 0 N--CA 1.489 1.512 1 N-CA-C 100.094 -4.039 . . . . 0.0 100.094 179.343 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 10.1 t -119.17 66.83 0.79 Allowed 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 120.912 3.671 . . . . 0.0 120.912 0.415 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -100.71 -34.17 9.96 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 112.718 -2.037 . . . . 0.0 108.265 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 124.081 0.863 . . . . 0.0 110.314 -179.852 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.43 HE22 ' N ' ' A' ' 10' ' ' PHE . 61.6 tp60 -117.35 139.51 50.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.778 1.299 . . . . 0.0 110.912 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.36 150.12 47.65 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.208 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -109.38 28.01 8.96 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.98 0.8 . . . . 0.0 110.474 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -128.2 -54.73 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.31 -162.88 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.403 -1.271 . . . . 0.0 107.796 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -108.7 61.41 0.6 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.384 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.469 ' CE1' ' OG ' ' A' ' 12' ' ' SER . 31.3 t80 -106.23 128.85 54.25 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.188 -1.824 . . . . 0.0 106.252 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.74 132.6 47.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 123.972 0.795 . . . . 0.0 109.564 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 10' ' ' PHE . 60.7 m -144.59 153.88 42.25 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.79 45.91 1.75 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.615 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.9 t70 -120.33 -59.67 1.75 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.43 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 34.3 t 113.33 -53.14 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.215 0 O-C-N 126.34 2.275 . . . . 0.0 105.462 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -58.26 -51.47 69.63 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -51.9 -46.24 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.008 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 38.5 tp -64.55 -52.07 59.56 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -57.74 -47.95 81.0 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -57.94 -45.88 85.93 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 57.6 t60 -51.56 -56.73 11.85 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -47.86 -46.67 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -69.78 -44.1 70.82 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -68.24 -38.56 81.95 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 4.0 mmmp? -102.41 -37.8 7.87 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -179.476 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 N--CA 1.505 2.301 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -179.246 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -124.0 157.94 33.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.088 0.868 . . . . 0.0 109.841 -179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.5 t -81.69 162.32 23.05 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.328 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -124.11 40.59 3.7 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 122.428 1.109 . . . . 0.0 109.736 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 22' ' ' ILE . 84.0 m-85 -140.36 -53.88 0.51 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 113.526 -1.67 . . . . 0.0 106.516 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -120.74 -164.1 1.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.416 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -109.34 59.8 0.6 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.716 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.4 t80 -105.52 125.89 51.5 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 112.868 -1.969 . . . . 0.0 107.265 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -128.51 129.74 46.49 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.692 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.42 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 39.9 m -142.99 161.61 37.67 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.369 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.01 22.84 15.36 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.206 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.79 159.38 24.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.3 t -110.64 -53.56 2.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.0 m -52.68 -38.0 59.77 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.662 0.601 . . . . 0.0 111.005 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -91.73 6.04 47.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 45.1 tp -106.15 -45.69 4.26 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -63.93 -37.96 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m -65.97 -46.65 77.29 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 60.6 t60 -46.89 -56.23 6.69 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.4 HG23 ' CE2' ' A' ' 7' ' ' TYR . 82.2 mt -56.45 -36.33 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -92.12 3.56 55.04 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -120.15 -38.04 2.98 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -94.53 -35.8 12.12 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.771 1.229 . . . . 0.0 110.714 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 N--CA 1.5 2.062 0 CA-C-O 122.317 1.056 . . . . 0.0 110.728 -179.888 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.477 HE22 ' N ' ' A' ' 10' ' ' PHE . 53.2 tp60 -121.58 138.99 54.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.236 0.96 . . . . 0.0 111.62 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 50.5 t -65.48 146.17 55.21 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.695 -1.139 . . . . 0.0 108.609 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -107.84 36.95 2.57 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.445 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 86.5 m-85 -136.51 -56.45 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.671 -1.604 . . . . 0.0 107.738 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.44 -165.0 1.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 59.07 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 122.832 1.301 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 70.5 t80 -110.57 126.67 54.68 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 112.873 -1.967 . . . . 0.0 106.232 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -121.36 141.21 51.17 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.638 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.5 m -140.3 159.25 42.61 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.12 48.65 1.45 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.167 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 12.7 t70 -130.68 -64.84 0.82 Allowed 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.945 179.622 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 47.4 t 117.97 -66.95 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 126.891 2.076 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -58.8 -27.46 65.07 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.146 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.46 -40.69 57.15 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.5 tp -60.42 -49.63 76.8 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.983 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -55.69 -45.47 77.8 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 m -56.07 -55.3 34.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -40.35 -58.11 1.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -49.27 -53.27 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.42 -21.26 66.21 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -179.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -109.46 -12.31 14.72 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -107.02 -34.52 7.15 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.529 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.5 pttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.77 0.795 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.1 t -120.23 -171.2 2.11 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -118.98 159.94 22.92 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 106.235 -1.765 . . . . 0.0 106.235 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.06 162.41 28.83 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 35.7 t -98.23 149.65 22.35 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 104.784 -2.302 . . . . 0.0 104.784 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -110.0 39.88 2.05 Favored 'General case' 0 N--CA 1.504 2.237 0 CA-C-O 122.453 1.121 . . . . 0.0 109.377 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -137.71 -56.38 0.68 Allowed 'General case' 0 N--CA 1.491 1.595 0 CA-C-N 113.086 -1.87 . . . . 0.0 107.25 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -125.09 -160.43 0.95 Allowed 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 113.724 -1.58 . . . . 0.0 110.639 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -103.55 57.06 0.74 Allowed 'General case' 0 N--CA 1.495 1.824 0 CA-C-N 114.864 -1.062 . . . . 0.0 109.036 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -109.08 96.69 6.48 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 113.757 -1.565 . . . . 0.0 106.982 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 ptp85 -115.41 103.93 11.26 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 112.729 -2.032 . . . . 0.0 107.978 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.7 m -115.5 157.84 23.45 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 112.657 -2.065 . . . . 0.0 108.192 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.22 38.96 1.56 Allowed 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.295 1.045 . . . . 0.0 108.614 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -138.32 155.46 48.55 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 112.847 -1.979 . . . . 0.0 105.938 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.3 t -107.64 -48.58 3.39 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.5 m -51.74 -35.25 42.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 123.785 0.678 . . . . 0.0 111.204 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -99.36 10.25 41.77 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 tp -108.28 -44.18 4.19 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -68.83 -47.66 65.48 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 105.562 -2.014 . . . . 0.0 105.562 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.1 m -58.01 -44.86 87.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -49.27 -63.3 1.14 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 124.467 1.104 . . . . 0.0 108.22 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.1 mt -44.14 -46.48 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -65.85 -50.14 65.63 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.6 m -79.61 -12.69 59.82 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 25' ' ' LYS . 3.0 mptp? -113.87 -29.69 6.98 Favored 'General case' 0 N--CA 1.501 2.109 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -116.22 -51.59 2.62 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.4 t -113.66 84.45 2.02 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.52 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -98.97 -103.18 0.22 Allowed 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.561 -1.199 . . . . 0.0 112.028 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.27 76.63 1.63 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.07 0 CA-C-O 122.527 1.156 . . . . 0.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 14.8 t -123.09 -171.55 2.32 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -120.57 135.26 55.14 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -128.07 171.63 11.7 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.4 t -97.52 150.59 20.92 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 112.102 -2.317 . . . . 0.0 107.115 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -120.02 36.25 4.59 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.238 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -131.83 -53.61 0.99 Allowed 'General case' 0 N--CA 1.494 1.732 0 CA-C-N 113.962 -1.472 . . . . 0.0 107.375 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.0 p -124.04 -158.03 0.79 Allowed 'General case' 0 N--CA 1.501 2.078 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.35 55.65 0.69 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 122.754 1.264 . . . . 0.0 110.711 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -103.27 143.06 33.14 Favored 'General case' 0 N--CA 1.499 1.982 0 CA-C-N 113.566 -1.652 . . . . 0.0 107.182 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.507 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -147.65 134.22 19.83 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.201 179.764 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.1 m -148.5 153.6 38.68 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -120.08 41.87 3.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 105.183 -2.154 . . . . 0.0 105.183 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 15' ' ' SER . 8.5 t70 -114.48 -65.45 1.19 Allowed 'General case' 0 N--CA 1.489 1.522 0 CA-C-N 112.708 -2.042 . . . . 0.0 107.926 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 41.5 t 111.13 -54.82 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 126.035 2.085 . . . . 0.0 106.747 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.0 t -60.46 -42.09 95.46 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -68.5 -28.94 67.45 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 124.06 0.85 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -76.15 -52.98 8.97 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 ptpp? -61.56 -39.48 91.27 Favored 'General case' 0 N--CA 1.493 1.686 0 C-N-CA 118.714 -1.194 . . . . 0.0 108.387 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.4 m -64.29 -49.3 72.32 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -43.01 -58.23 2.52 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.31 1.006 . . . . 0.0 108.67 179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.6 mt -51.38 -54.52 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.594 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -57.13 -20.15 24.11 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -108.3 -31.04 8.03 Favored 'General case' 0 N--CA 1.51 2.556 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.82 -29.09 14.91 Favored 'General case' 0 N--CA 1.503 2.211 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -120.39 44.42 2.46 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 123.667 0.604 . . . . 0.0 109.762 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 p -133.86 60.2 1.71 Allowed 'General case' 0 N--CA 1.5 2.072 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 109.19 -58.66 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.865 0 C-N-CA 126.515 1.926 . . . . 0.0 108.072 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 12.59 66.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.973 0 O-C-N 126.402 2.314 . . . . 0.0 114.985 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 N--CA 1.501 2.122 0 CA-C-O 122.157 0.979 . . . . 0.0 109.754 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 p -110.27 164.57 12.53 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 113.475 0.916 . . . . 0.0 113.475 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -125.05 131.51 53.34 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.08 160.78 21.42 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 39.6 t -92.03 126.86 37.28 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.618 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -95.95 43.62 1.08 Allowed 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 122.988 1.375 . . . . 0.0 112.269 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 76.0 m-85 -129.02 -54.68 1.2 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 103.448 -2.797 . . . . 0.0 103.448 179.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -126.24 -164.24 1.3 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 113.79 -1.55 . . . . 0.0 109.995 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -107.25 61.71 0.62 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.664 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 68.0 t80 -117.01 130.6 56.8 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 113.067 -1.879 . . . . 0.0 108.674 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.1 ptt-85 -118.13 144.26 45.82 Favored 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 105.243 -2.132 . . . . 0.0 105.243 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.664 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 3.1 m -140.11 -24.14 0.82 Allowed 'General case' 0 N--CA 1.503 2.216 0 C-N-CA 119.054 -1.059 . . . . 0.0 113.56 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 33.46 45.82 0.1 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 124.706 1.254 . . . . 0.0 114.248 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -126.18 -61.07 1.24 Allowed 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 114.064 -1.425 . . . . 0.0 108.281 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.3 m 111.97 -65.15 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 126.995 2.684 . . . . 0.0 109.897 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.1 m -51.46 -49.35 61.93 Favored 'General case' 0 N--CA 1.508 2.448 0 CA-C-O 122.601 1.191 . . . . 0.0 109.974 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.99 -45.99 91.23 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-N 113.491 -1.686 . . . . 0.0 109.713 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -61.71 -45.65 93.03 Favored 'General case' 0 N--CA 1.499 1.976 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.6 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -54.99 -53.24 58.27 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.9 m -54.72 -53.25 57.41 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -43.03 -54.15 4.45 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 124.528 1.142 . . . . 0.0 109.526 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.3 -46.02 92.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 C-N-CA 119.74 -0.784 . . . . 0.0 113.014 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -80.09 1.88 26.19 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -120.0 -36.23 3.32 Favored 'General case' 0 N--CA 1.504 2.26 0 CA-C-O 120.857 0.36 . . . . 0.0 111.719 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -98.17 -36.55 10.02 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 124.219 1.007 . . . . 0.0 113.159 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -110.61 41.19 1.83 Allowed 'General case' 0 N--CA 1.501 2.089 0 CA-C-O 122.347 1.07 . . . . 0.0 108.863 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.1 p -140.48 -176.65 4.71 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 112.746 -2.025 . . . . 0.0 110.189 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? 8.88 72.66 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 125.794 1.934 . . . . 0.0 115.773 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.07 160.67 27.21 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.987 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 99.8 mttt . . . . . 0 N--CA 1.508 2.474 0 N-CA-C 116.123 1.897 . . . . 0.0 116.123 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.723 0.773 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.4 p -123.8 167.98 13.34 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 113.668 -1.605 . . . . 0.0 107.718 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -116.08 137.25 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.411 HE22 ' N ' ' A' ' 10' ' ' PHE . 72.4 tp60 -108.43 128.13 54.51 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 51.0 t -31.62 -60.87 0.23 Allowed 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 117.507 2.41 . . . . 0.0 117.507 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 36.6 tt0 116.67 -35.44 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.849 0 O-C-N 125.808 1.943 . . . . 0.0 108.776 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -95.29 -55.22 3.13 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 113.911 -1.495 . . . . 0.0 112.982 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.3 p -113.25 -165.83 1.03 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 123.688 0.618 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -100.02 50.93 0.91 Allowed 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.735 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.622 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 79.0 t80 -107.85 114.66 28.75 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.595 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -116.19 127.89 55.16 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 105.44 -2.059 . . . . 0.0 105.44 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.622 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.4 m -132.92 163.74 28.49 Favored 'General case' 0 N--CA 1.5 2.041 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.44 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.15 46.9 2.58 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 120.174 -0.61 . . . . 0.0 110.533 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' SER . 60.1 t0 -122.41 -69.63 0.82 Allowed 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.349 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 43.2 t 115.2 -58.61 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.306 0 O-C-N 126.451 2.344 . . . . 0.0 107.12 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.2 p -61.07 -11.06 7.25 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 123.88 0.738 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -102.18 -49.15 3.99 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 tp -56.07 -42.85 77.3 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HG3' ' N ' ' A' ' 20' ' ' THR . 20.4 pttp -59.05 -45.21 91.36 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 119.172 -1.011 . . . . 0.0 109.164 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.498 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 99.8 m -58.39 -51.25 70.59 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.9 t60 -47.17 -56.55 6.44 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 125.014 1.446 . . . . 0.0 110.59 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.89 -25.33 37.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.285 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -90.78 -6.96 53.67 Favored 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.3 m -115.12 -37.17 4.18 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 123.816 0.698 . . . . 0.0 111.622 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -93.48 -40.35 10.38 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 125.059 1.475 . . . . 0.0 111.573 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -111.18 47.61 0.99 Allowed 'General case' 0 N--CA 1.501 2.077 0 CA-C-O 123.109 1.433 . . . . 0.0 111.315 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 28' ' ' LYS . 32.5 t -133.9 -171.46 2.74 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 111.356 -2.656 . . . . 0.0 104.068 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 27' ' ' SER . 21.0 pttp 8.6 70.39 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.59 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -108.26 -29.24 9.0 Favored 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.656 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 N--CA 1.499 2.014 0 O-C-N 124.423 1.077 . . . . 0.0 109.86 -179.871 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 2' ' ' THR . 17.4 pttp . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.415 ' N ' ' HG3' ' A' ' 1' ' ' LYS . 82.7 p -121.76 179.64 4.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 124.085 0.865 . . . . 0.0 110.061 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' H ' ' HA ' ' A' ' 13' ' ' ALA . 42.6 m-85 -117.06 137.3 52.35 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -116.47 151.86 35.2 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.4 t -71.79 166.42 22.06 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -121.48 20.84 11.12 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.867 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.2 -50.76 1.2 Allowed 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.244 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 p -119.8 -164.96 1.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.841 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.68 57.73 0.61 Allowed 'General case' 0 N--CA 1.496 1.825 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.989 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 74.7 t80 -110.53 137.88 47.64 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.9 ttp85 -143.01 140.03 30.84 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 3.5 m -143.07 -65.13 0.39 Allowed 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 12' ' ' SER . . . 118.73 26.73 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.956 0 O-C-N 125.314 1.634 . . . . 0.0 111.536 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -121.62 156.14 33.6 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -130.08 27.36 5.13 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.751 0.786 . . . . 0.0 111.081 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -127.59 -35.22 2.16 Favored 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 105.572 -2.01 . . . . 0.0 105.572 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -100.52 -37.12 8.94 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.354 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 36.7 tp -58.97 -32.49 69.7 Favored 'General case' 0 N--CA 1.504 2.238 0 C-N-CA 118.846 -1.142 . . . . 0.0 108.991 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -67.53 -46.04 73.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.9 m -56.53 -47.05 80.22 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.5 t60 -48.31 -60.81 2.37 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.4 mt -48.26 -46.26 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -73.01 -13.79 61.3 Favored 'General case' 0 N--CA 1.502 2.158 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.4 m -103.32 -35.67 8.32 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.84 -32.64 11.6 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -117.73 23.14 11.9 Favored 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.6 t -137.52 -57.05 0.69 Allowed 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttp -121.31 46.23 2.1 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -7.97 -65.62 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 CA-C-N 112.934 -1.939 . . . . 0.0 115.968 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm . . . . . 0 N--CA 1.498 1.955 0 CA-C-O 122.471 1.129 . . . . 0.0 109.122 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.5 p -93.76 159.83 15.03 Favored 'General case' 0 N--CA 1.5 2.073 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.346 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.481 ' HB3' ' CD2' ' A' ' 18' ' ' LEU . 50.6 m-85 -127.38 145.24 50.88 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.216 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -123.29 143.37 50.11 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 114.737 -1.12 . . . . 0.0 108.866 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.1 t -76.53 151.61 36.3 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -115.4 38.93 3.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 124.268 0.98 . . . . 0.0 109.134 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -140.96 -57.55 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.274 -1.33 . . . . 0.0 111.167 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -116.76 -137.08 0.36 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.967 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -96.09 -49.42 5.26 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 123.628 0.58 . . . . 0.0 112.279 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -13.69 118.27 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.39 0 N-CA-C 118.19 2.663 . . . . 0.0 118.19 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.3 136.36 48.08 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 104.947 -2.242 . . . . 0.0 104.947 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 m -148.95 170.98 17.09 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 120.081 -0.648 . . . . 0.0 111.966 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.31 29.62 7.9 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 115.276 -0.875 . . . . 0.0 109.057 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -130.23 157.69 41.78 Favored 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.2 t -102.48 -56.41 2.26 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.6 t -44.57 -53.27 7.26 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 121.701 0.763 . . . . 0.0 111.388 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 17' ' ' ASN . 1.2 m120 -64.14 -19.7 65.47 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-N 113.961 -1.472 . . . . 0.0 114.784 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 3' ' ' TYR . 61.7 tp -93.66 -38.79 11.14 Favored 'General case' 0 N--CA 1.5 2.048 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -62.67 -50.68 70.2 Favored 'General case' 0 N--CA 1.495 1.793 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.1 m -56.5 -46.02 80.72 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 106.951 -1.499 . . . . 0.0 106.951 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 76.0 t60 -48.13 -61.63 1.88 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 124.836 1.335 . . . . 0.0 107.834 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.4 mt -48.66 -48.41 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' HA ' ' HB3' ' A' ' 27' ' ' SER . 13.8 mptt -60.66 -53.85 52.44 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.2 m -73.79 -34.06 64.49 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 2.4 mmmp? -93.87 -30.37 14.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -121.58 -73.55 0.64 Allowed 'General case' 0 N--CA 1.502 2.15 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' A' ' 23' ' ' LYS . 8.7 t -33.22 -56.9 0.41 Allowed 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt 48.62 61.41 3.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 125.001 1.438 . . . . 0.0 111.284 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 11.9 pt-20 -118.32 -43.1 2.74 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-N 113.55 -1.659 . . . . 0.0 108.686 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 29' ' ' GLU . 22.5 ttmm . . . . . 0 N--CA 1.509 2.513 0 C-N-CA 126.965 2.106 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.504 ' HA ' ' HE2' ' A' ' 1' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.3 m -125.38 171.89 10.07 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-N 114.359 -1.291 . . . . 0.0 108.921 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.35 151.53 42.41 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.585 ' HG2' ' H ' ' A' ' 5' ' ' CYS . 2.5 tt0 -123.16 178.05 5.27 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.287 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.585 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 28.6 t -105.76 153.11 22.33 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -118.24 36.48 4.35 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 124.25 0.969 . . . . 0.0 110.997 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -131.06 -58.71 1.0 Allowed 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 113.516 -1.674 . . . . 0.0 106.987 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -118.29 -154.94 0.58 Allowed 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.788 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.45 54.11 0.67 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 124.276 0.985 . . . . 0.0 111.585 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 86.6 t80 -107.99 120.35 42.06 Favored 'General case' 0 N--CA 1.502 2.136 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.063 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.43 134.56 53.05 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 36.8 m -151.56 155.55 38.7 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.2 33.52 3.45 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 119.322 -0.951 . . . . 0.0 110.626 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -134.85 162.23 32.97 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.275 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 t -122.55 65.89 0.95 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 102.626 -3.101 . . . . 0.0 102.626 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 t 131.73 117.3 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.797 1 N-CA-C 95.649 -5.685 . . . . 0.0 95.649 -179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -88.16 48.58 1.66 Allowed 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 118.472 2.767 . . . . 0.0 118.472 0.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.9 tp -99.57 -34.85 10.06 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 101.64 -3.467 . . . . 0.0 101.64 179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -75.96 -49.46 17.66 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -54.18 -47.13 72.38 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' HD1' ' HZ2' ' A' ' 25' ' ' LYS . 64.3 t60 -46.58 -65.8 0.5 Allowed 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 98.2 mt -47.65 -44.12 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -60.73 -44.71 96.31 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.466 HG23 ' CD ' ' A' ' 25' ' ' LYS . 12.2 t -100.6 1.93 41.25 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HZ2' ' HD1' ' A' ' 21' ' ' HIS . 1.1 mptm? -113.56 -33.6 5.82 Favored 'General case' 0 N--CA 1.506 2.364 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.829 179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -123.12 -52.0 1.87 Allowed 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -115.6 -146.71 0.41 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 124.414 1.071 . . . . 0.0 110.148 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.475 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.5 OUTLIER 6.7 64.7 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.503 0 C-N-CA 126.487 1.915 . . . . 0.0 115.735 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' CB ' ' O ' ' A' ' 28' ' ' LYS . 2.5 tm-20 104.62 115.51 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.552 0 C-N-CA 126.384 1.874 . . . . 0.0 106.314 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 122.324 1.059 . . . . 0.0 109.355 -179.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.5 t -130.66 166.3 20.99 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-O 122.992 1.377 . . . . 0.0 111.183 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -123.96 122.98 39.38 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 101.17 -3.641 . . . . 0.0 101.17 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.522 HE22 ' N ' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -108.68 149.26 29.21 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.9 t -68.35 154.78 41.11 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.691 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -107.14 26.12 10.55 Favored 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -136.75 -58.48 0.73 Allowed 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.588 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.3 p -115.59 -161.6 0.79 Allowed 'General case' 0 N--CA 1.498 1.96 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.151 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 7.1 mp0 -109.86 57.52 0.61 Allowed 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.268 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.608 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 54.8 t80 -108.6 120.38 42.26 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -119.09 137.16 53.76 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.188 0.93 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.608 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.6 m -134.45 173.92 11.11 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-N 113.421 -1.718 . . . . 0.0 107.43 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.96 26.39 3.29 Favored 'General case' 0 N--CA 1.504 2.254 0 CA-C-N 118.463 0.574 . . . . 0.0 110.732 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 15' ' ' SER . 24.5 t70 -113.25 -61.82 1.68 Allowed 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.474 -179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 26.7 t 117.98 -61.6 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 O-C-N 126.333 2.27 . . . . 0.0 110.082 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.6 p -54.66 -41.75 70.51 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.99 -52.97 63.48 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 37.3 tp -53.95 -46.37 71.58 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.179 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -56.77 -51.43 68.92 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.18 -1.008 . . . . 0.0 108.659 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.4 m -52.16 -50.85 61.0 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 59.1 t60 -46.23 -57.87 4.18 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.1 mt -49.61 -48.19 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 124.103 0.877 . . . . 0.0 111.85 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -59.02 -36.69 75.38 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -86.58 -39.21 16.39 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -96.48 -25.34 15.7 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 116.878 2.177 . . . . 0.0 116.878 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -123.05 72.21 1.09 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.469 0.652 . . . . 0.0 111.016 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 m -95.99 3.11 53.73 Favored 'General case' 0 N--CA 1.501 2.112 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -116.7 47.83 1.39 Allowed 'General case' 0 N--CA 1.501 2.086 0 N-CA-C 106.862 -1.532 . . . . 0.0 106.862 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -124.79 -11.74 7.17 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 112.432 -2.167 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 3.2 mptp? . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 122.221 1.01 . . . . 0.0 109.745 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.042 0.449 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p -122.81 174.53 7.08 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.48 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -116.71 151.91 35.4 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.488 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -117.51 157.86 25.57 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 124.15 0.906 . . . . 0.0 108.855 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 52.7 t -83.88 157.79 21.86 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.703 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.501 ' NE2' ' N ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -118.56 34.75 5.06 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 124.086 0.866 . . . . 0.0 108.699 -179.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -136.82 -54.51 0.72 Allowed 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.7 p -124.07 -167.42 1.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.557 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -106.02 63.13 0.66 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.656 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -114.0 140.37 48.49 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 112.662 -2.063 . . . . 0.0 107.907 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.9 ptt-85 -134.78 146.71 49.6 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.656 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 4.2 m -142.71 162.29 35.85 Favored 'General case' 0 N--CA 1.507 2.417 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.191 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.33 45.62 2.32 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 120.343 -0.543 . . . . 0.0 112.434 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.7 t70 -130.57 -63.17 0.89 Allowed 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 119.894 -0.722 . . . . 0.0 112.385 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 48.5 t 122.7 -68.24 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 O-C-N 126.039 2.087 . . . . 0.0 108.553 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 94.1 p -59.58 -31.3 69.32 Favored 'General case' 0 N--CA 1.504 2.252 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -64.9 -50.26 67.21 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.607 -1.257 . . . . 0.0 107.607 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.27 -43.45 87.93 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -56.61 -54.78 42.01 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.4 m -49.35 -50.99 37.46 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -49.06 -59.97 3.18 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.597 1.186 . . . . 0.0 108.579 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.8 mt -46.5 -36.08 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 123.712 0.632 . . . . 0.0 112.349 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -80.69 -65.93 0.95 Allowed 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.143 -1.023 . . . . 0.0 109.686 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.5 m -45.7 -41.65 10.77 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -101.51 -31.26 10.96 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -107.47 -69.87 0.82 Allowed 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 p -37.39 -44.75 0.65 Allowed 'General case' 0 N--CA 1.505 2.289 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -30.41 -42.77 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 125.405 1.691 . . . . 0.0 113.895 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -121.55 59.68 0.96 Allowed 'General case' 0 N--CA 1.49 1.547 0 CA-C-N 113.538 -1.665 . . . . 0.0 107.692 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 117.557 2.428 . . . . 0.0 117.557 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 119.307 -0.377 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.4 p -94.28 141.65 28.32 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.388 1.09 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' HB2' HD22 ' A' ' 18' ' ' LEU . 12.5 m-85 -115.92 168.57 9.95 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 112.324 -2.216 . . . . 0.0 106.605 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -131.6 128.5 39.3 Favored 'General case' 0 N--CA 1.504 2.241 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.3 t -41.54 -65.81 0.41 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 108.61 1.57 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.792 0 O-C-N 126.309 2.256 . . . . 0.0 112.143 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -119.86 -54.7 2.13 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 30.5 p -115.09 -169.08 1.49 Allowed 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.59 68.78 0.81 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 105.616 -1.994 . . . . 0.0 105.616 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 89.7 t80 -114.02 104.37 12.08 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 102.917 -2.994 . . . . 0.0 102.917 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -114.6 117.9 32.2 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.9 m -127.48 162.75 25.65 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.832 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.2 46.4 2.05 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.27 -59.29 1.49 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.376 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.0 m 32.01 83.62 0.02 OUTLIER 'General case' 0 N--CA 1.514 2.726 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 18' ' ' LEU . 17.2 m -64.73 165.12 10.92 Favored 'General case' 0 N--CA 1.505 2.325 0 O-C-N 119.411 -2.056 . . . . 0.0 109.058 -0.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -98.5 62.08 1.41 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 122.381 2.355 . . . . 0.0 116.838 0.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 3' ' ' TYR . 41.6 tp -101.98 -37.33 8.26 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 104.241 -2.503 . . . . 0.0 104.241 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -79.93 -31.74 40.09 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 102.392 -3.188 . . . . 0.0 102.392 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.0 m -85.08 5.36 29.95 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 122.767 1.27 . . . . 0.0 109.556 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.411 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 26.6 t60 -102.04 -65.6 0.97 Allowed 'General case' 0 C--N 1.3 -1.545 1 N-CA-C 99.002 -4.444 . . . . 0.0 99.002 178.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' HIS . 78.9 mt -41.34 -48.03 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.289 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 ttpp -108.16 109.79 21.28 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 t -125.11 68.02 1.12 Allowed 'General case' 0 N--CA 1.498 1.932 0 CA-C-N 123.694 2.952 . . . . 0.0 118.273 0.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 21' ' ' HIS . 9.7 mptt -103.72 -33.5 8.92 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 112.152 -2.295 . . . . 0.0 107.193 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.92 -50.24 2.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 124.351 1.032 . . . . 0.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -120.65 83.7 2.11 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.879 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.622 ' HD3' ' H ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -101.3 -157.54 0.62 Allowed 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 126.804 2.042 . . . . 0.0 109.819 0.477 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -118.71 99.53 6.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 123.487 0.492 . . . . 0.0 111.249 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.4 tttm . . . . . 0 N--CA 1.498 1.958 0 CA-C-O 122.419 1.104 . . . . 0.0 108.065 179.487 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p -137.58 118.71 14.46 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -130.82 171.24 13.37 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.994 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -125.78 166.45 16.78 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 123.865 0.728 . . . . 0.0 109.22 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 5.4 t -83.63 -60.65 2.06 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 117.702 -1.142 . . . . 0.0 112.155 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 5' ' ' CYS . 38.2 tt0 120.32 -35.39 0.01 OUTLIER 'General case' 0 N--CA 1.516 2.829 0 O-C-N 125.711 1.882 . . . . 0.0 110.408 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -98.23 -51.96 3.83 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 114.712 -1.131 . . . . 0.0 112.879 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.1 p -113.22 -162.99 0.83 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.818 0.818 . . . . 0.0 111.221 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -99.49 55.17 0.97 Allowed 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 114.046 -1.433 . . . . 0.0 108.884 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.1 t80 -116.14 92.69 3.97 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-O 123.318 1.532 . . . . 0.0 107.989 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -115.67 110.73 19.57 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 102.836 -3.024 . . . . 0.0 102.836 179.718 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 66.4 m -115.95 177.68 4.59 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.684 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.79 41.69 3.09 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.265 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 15' ' ' SER . 31.0 t70 -125.78 -75.8 0.59 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.833 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 19.6 t 110.94 -49.98 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.497 0 C-N-CA 126.532 1.933 . . . . 0.0 111.166 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 54.0 p -60.04 -37.99 81.41 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.624 -1.23 . . . . 0.0 108.826 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -97.32 22.42 8.73 Favored 'General case' 0 N--CA 1.494 1.732 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.892 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 tp -106.28 -49.5 3.34 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -68.27 -42.38 79.66 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 105.117 -2.179 . . . . 0.0 105.117 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.0 m -62.41 -40.34 96.21 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -54.03 -59.77 4.2 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 88.7 mt -51.75 -33.69 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -70.92 -47.44 59.08 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.1 p -72.4 -36.84 68.74 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 124.148 0.905 . . . . 0.0 112.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -95.18 -43.7 7.97 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -114.97 38.21 3.24 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 123.571 0.544 . . . . 0.0 112.365 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t 56.16 170.7 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.452 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.629 ' HZ2' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -92.19 -173.1 3.33 Favored 'General case' 0 N--CA 1.499 2.021 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.878 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -105.96 160.75 15.04 Favored 'General case' 0 N--CA 1.497 1.879 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.409 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? . . . . . 0 N--CA 1.494 1.733 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.299 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.3 tptm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.7 p -96.33 144.24 26.67 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -124.8 155.58 39.16 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.64 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -123.23 142.87 50.47 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 50.5 t -76.81 146.48 37.8 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.319 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -107.25 34.97 3.22 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-O 122.155 0.979 . . . . 0.0 111.741 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -133.4 -54.21 0.9 Allowed 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 20.3 p -124.75 -167.38 1.66 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -109.78 64.22 0.61 Allowed 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 123.037 1.399 . . . . 0.0 107.496 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.456 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 63.7 t80 -110.62 113.45 26.07 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 112.17 -2.286 . . . . 0.0 108.151 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.421 ' HB2' HH11 ' A' ' 11' ' ' ARG . 12.3 ptm180 -119.99 133.02 55.67 Favored 'General case' 0 N--CA 1.492 1.646 0 N-CA-C 106.676 -1.602 . . . . 0.0 106.676 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.413 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 54.1 m -141.5 171.14 14.47 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 113.767 -1.561 . . . . 0.0 108.163 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.19 43.99 1.62 Allowed 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -137.45 165.66 25.71 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 113.741 -1.572 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t -115.33 -46.98 2.86 Favored 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 104.058 -2.571 . . . . 0.0 104.058 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' ASN . 19.0 m -121.18 114.38 21.33 Favored 'General case' 0 C--N 1.298 -1.656 1 N-CA-C 93.484 -6.487 . . . . 0.0 93.484 179.304 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' HB ' ' A' ' 20' ' ' THR . 74.0 m-80 -97.36 51.33 1.09 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 121.424 3.861 . . . . 0.0 121.424 1.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 28.4 tp -86.33 -39.99 15.91 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 105.32 -2.104 . . . . 0.0 105.32 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.23 -40.18 93.71 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.426 ' HB ' ' HB3' ' A' ' 17' ' ' ASN . 96.9 m -62.67 -38.53 90.72 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.449 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 41.0 t60 -56.93 -60.3 3.78 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.7 mt -40.39 -50.06 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 123.82 0.7 . . . . 0.0 111.112 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -63.66 -62.86 1.38 Allowed 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.7 m -54.84 -37.57 66.34 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 116.29 1.959 . . . . 0.0 116.29 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HG3' ' CE1' ' A' ' 21' ' ' HIS . 34.6 mmtp -95.61 -38.86 10.21 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 124.511 1.132 . . . . 0.0 112.141 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -115.27 70.48 0.74 Allowed 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 122.44 1.114 . . . . 0.0 110.021 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.1 p -92.14 -170.27 2.48 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 112.895 -1.957 . . . . 0.0 106.402 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -116.25 -53.79 2.51 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.478 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -119.39 66.72 0.8 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-N 114.115 -1.402 . . . . 0.0 112.311 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 122.518 1.151 . . . . 0.0 109.066 179.634 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 13' ' ' ALA . 71.7 p -114.68 175.56 5.43 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 124.261 0.976 . . . . 0.0 113.175 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -115.54 151.23 35.26 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.578 HE22 ' N ' ' A' ' 10' ' ' PHE . 46.4 tp60 -118.34 133.01 56.24 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 122.329 1.061 . . . . 0.0 113.705 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.5 t -50.62 163.16 0.19 Allowed 'General case' 0 N--CA 1.499 1.997 0 CA-C-N 112.792 -2.004 . . . . 0.0 112.433 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -116.18 21.22 13.84 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.45 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -129.43 -58.32 1.12 Allowed 'General case' 0 N--CA 1.496 1.87 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.732 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.3 p -120.98 -160.96 0.87 Allowed 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.47 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.8 tp10 -110.15 63.57 0.61 Allowed 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 122.608 1.194 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.578 ' N ' HE22 ' A' ' 4' ' ' GLN . 34.7 t80 -106.73 128.5 54.27 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -133.86 131.42 39.15 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 123.832 0.708 . . . . 0.0 110.5 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.6 m -142.67 158.29 43.8 Favored 'General case' 0 N--CA 1.505 2.319 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.134 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' A' ' 2' ' ' THR . . . -115.0 41.91 2.3 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 123.841 0.713 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HB3' ' HB2' ' A' ' 17' ' ' ASN . 16.5 t70 -125.23 -42.09 2.02 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.777 -1.102 . . . . 0.0 110.332 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.1 m 5.81 92.24 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.592 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 p 5.46 -83.53 0.0 OUTLIER 'General case' 0 N--CA 1.519 2.984 2 N-CA-C 130.023 7.045 . . . . 0.0 130.023 0.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' A' ' 14' ' ' ASP . 4.7 m120 -30.89 -57.64 0.22 Allowed 'General case' 0 N--CA 1.53 3.556 0 CA-C-N 123.151 2.705 . . . . 0.0 115.5 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -47.38 -35.47 8.3 Favored 'General case' 0 N--CA 1.508 2.442 0 N-CA-C 114.247 1.203 . . . . 0.0 114.247 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -74.13 -46.43 42.55 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 105.772 -1.936 . . . . 0.0 105.772 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.4 m -54.38 -46.14 72.99 Favored 'General case' 0 N--CA 1.502 2.139 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.446 ' ND1' ' HG3' ' A' ' 25' ' ' LYS . 48.6 t60 -49.06 -61.72 1.92 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.58 -41.65 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 123.918 0.762 . . . . 0.0 110.583 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.485 ' HG2' HG23 ' A' ' 24' ' ' THR . 0.7 OUTLIER -64.87 -46.13 83.09 Favored 'General case' 0 N--CA 1.498 1.936 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.929 179.677 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.485 HG23 ' HG2' ' A' ' 23' ' ' LYS . 18.2 p -94.91 8.84 41.44 Favored 'General case' 0 N--CA 1.509 2.499 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' HG3' ' ND1' ' A' ' 21' ' ' HIS . 41.7 mmtm -130.49 -42.8 1.16 Allowed 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 120.519 0.2 . . . . 0.0 111.083 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -122.15 56.35 1.1 Allowed 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -36.69 76.56 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 115.575 1.695 . . . . 0.0 115.575 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -121.89 70.14 0.95 Allowed 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.712 0.768 . . . . 0.0 109.126 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 22.8 mm-40 65.12 -169.84 0.2 Allowed 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 113.762 -1.563 . . . . 0.0 109.482 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 29' ' ' GLU . 36.1 mtmm . . . . . 0 N--CA 1.512 2.672 0 O-C-N 125.672 1.858 . . . . 0.0 110.151 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 t -97.73 158.21 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 123.397 1.57 . . . . 0.0 113.372 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -125.64 151.86 45.96 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 110.167 -3.197 . . . . 0.0 106.635 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.573 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 1.9 tm0? -122.11 163.0 20.24 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.573 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 43.5 t -92.0 178.28 5.93 Favored 'General case' 0 N--CA 1.504 2.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.208 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -119.57 -19.41 8.13 Favored 'General case' 0 N--CA 1.506 2.327 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -96.16 -51.17 4.52 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.309 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 15.2 p -117.55 -163.93 0.96 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 124.189 0.931 . . . . 0.0 109.306 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.15 53.61 0.74 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.26 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 66.2 t80 -98.69 98.59 9.71 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -114.82 109.85 18.79 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 111.946 -2.388 . . . . 0.0 104.928 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.2 m -124.7 178.03 5.66 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 113.136 -1.847 . . . . 0.0 111.127 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.34 37.71 3.8 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-O 121.751 0.786 . . . . 0.0 109.36 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -133.07 149.1 52.18 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.3 t -124.18 13.94 9.02 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 121.301 0.572 . . . . 0.0 111.56 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.3 p -114.58 -34.96 5.04 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 102.978 -2.971 . . . . 0.0 102.978 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -98.23 16.43 21.4 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 22.3 tp -106.09 -46.34 4.11 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -68.81 -38.91 80.25 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.453 ' HA ' ' HZ3' ' A' ' 23' ' ' LYS . 60.3 m -64.51 -47.04 80.38 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 50.9 t60 -43.77 -57.58 3.16 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.4 mt -53.47 -53.43 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 C-N-CA 119.874 -0.73 . . . . 0.0 111.863 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HZ3' ' HA ' ' A' ' 20' ' ' THR . 6.5 ttpm? -53.97 -30.9 48.88 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 116.255 1.946 . . . . 0.0 116.255 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.8 t -101.91 -28.99 12.09 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -102.02 -15.41 16.79 Favored 'General case' 0 N--CA 1.503 2.186 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -122.44 -46.57 2.15 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.0 p -114.53 176.56 4.99 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.625 1.203 . . . . 0.0 113.132 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -121.13 72.02 0.97 Allowed 'General case' 0 N--CA 1.493 1.703 0 CA-C-N 114.191 -1.368 . . . . 0.0 107.308 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 36.5 tt0 -108.76 -34.65 6.62 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 114.057 -1.429 . . . . 0.0 108.587 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 N--CA 1.51 2.563 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 179.77 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 2' ' ' THR . 28.0 tptt . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 26.5 m 95.35 163.17 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.882 0 C-N-CA 125.452 1.501 . . . . 0.0 108.868 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -133.05 148.23 52.21 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -115.94 163.68 15.53 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 124.164 0.915 . . . . 0.0 108.553 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 45.4 t -91.37 153.75 19.67 Favored 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 120.266 -0.574 . . . . 0.0 109.722 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -112.74 35.27 3.94 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-O 122.451 1.12 . . . . 0.0 109.468 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' CE2' HG23 ' A' ' 22' ' ' ILE . 94.8 m-85 -139.59 -57.76 0.58 Allowed 'General case' 0 N--CA 1.495 1.782 0 CA-C-N 113.706 -1.588 . . . . 0.0 106.892 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -122.7 -161.07 0.92 Allowed 'General case' 0 N--CA 1.493 1.699 0 CA-C-N 114.114 -1.403 . . . . 0.0 108.286 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -107.04 58.9 0.63 Allowed 'General case' 0 N--CA 1.493 1.717 0 CA-C-O 122.676 1.226 . . . . 0.0 109.066 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.577 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 76.0 t80 -108.41 104.41 13.75 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 112.968 -1.924 . . . . 0.0 108.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ptp85 -108.89 134.32 51.72 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.864 -1.516 . . . . 0.0 107.164 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.577 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 11.9 m -137.82 160.81 38.26 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.978 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.02 46.46 2.1 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.744 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -126.03 -57.32 1.42 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 70.6 m 116.58 -63.18 0.0 OUTLIER 'General case' 0 N--CA 1.511 2.587 0 O-C-N 126.404 2.315 . . . . 0.0 108.873 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -54.98 -54.02 48.3 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -39.55 -50.3 2.19 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 125.625 1.828 . . . . 0.0 110.164 179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -66.34 -50.33 63.91 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.866 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -55.51 -48.79 74.06 Favored 'General case' 0 N--CA 1.502 2.164 0 C-N-CA 119.669 -0.812 . . . . 0.0 109.648 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.7 m -57.21 -52.78 63.93 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -45.86 -54.86 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.404 HG23 ' CE2' ' A' ' 7' ' ' TYR . 96.6 mt -51.83 -49.59 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.45 -39.68 88.99 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 115.39 1.626 . . . . 0.0 115.39 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.1 m -79.99 -38.61 31.8 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -91.31 -42.28 10.46 Favored 'General case' 0 N--CA 1.495 1.812 0 C-N-CA 122.854 0.462 . . . . 0.0 110.977 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -107.66 61.82 0.62 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 123.962 0.789 . . . . 0.0 109.541 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.1 m -1.64 93.05 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.277 0 CA-C-N 112.567 -2.106 . . . . 0.0 115.675 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm 5.44 -64.67 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.296 0 N-CA-C 118.627 2.825 . . . . 0.0 118.627 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 -50.21 2.92 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.67 1.73 . . . . 0.0 115.67 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt . . . . . 0 N--CA 1.51 2.572 0 N-CA-C 116.102 1.89 . . . . 0.0 116.102 -179.761 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.046 0.451 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.0 p -119.36 -176.37 3.13 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 114.741 -1.118 . . . . 0.0 109.026 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -114.53 121.84 44.72 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 102.849 -3.019 . . . . 0.0 102.849 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -105.82 154.99 19.75 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.279 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.3 t -102.52 135.92 43.28 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 103.965 -2.605 . . . . 0.0 103.965 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -110.45 41.02 1.84 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 124.465 1.103 . . . . 0.0 111.142 -179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -131.85 -53.02 0.99 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -123.1 -158.03 0.77 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 124.47 1.106 . . . . 0.0 108.651 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -106.53 55.89 0.66 Allowed 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 121.605 0.716 . . . . 0.0 110.58 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -109.99 119.85 40.61 Favored 'General case' 0 N--CA 1.5 2.056 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.24 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.89 116.76 17.6 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -138.88 178.41 7.17 Favored 'General case' 0 N--CA 1.5 2.043 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.726 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.66 39.31 4.0 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 121.291 0.567 . . . . 0.0 109.767 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -135.2 85.79 2.2 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.027 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 t -43.64 -53.52 5.66 Favored 'General case' 0 N--CA 1.502 2.136 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.632 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.0 m -47.22 -42.71 20.78 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 124.018 0.824 . . . . 0.0 112.208 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -77.23 -46.56 22.79 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.222 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.19 -50.19 50.15 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 20' ' ' THR . 0.3 OUTLIER -58.68 -44.57 90.29 Favored 'General case' 0 N--CA 1.498 1.956 0 C-N-CA 119.418 -0.913 . . . . 0.0 110.465 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.47 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 87.3 m -61.15 -44.6 97.07 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.3 t60 -53.38 -56.99 12.25 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.6 mt -44.33 -51.66 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 123.953 0.783 . . . . 0.0 111.893 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -62.92 -54.74 33.85 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 118.521 -1.272 . . . . 0.0 111.69 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 m -51.49 -46.84 63.32 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.9 -32.85 13.74 Favored 'General case' 0 N--CA 1.5 2.04 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -116.25 73.87 0.87 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.968 1.366 . . . . 0.0 108.952 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.5 m -83.12 78.21 9.63 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 111.902 -2.408 . . . . 0.0 107.006 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt 113.19 -63.75 0.0 OUTLIER 'General case' 0 N--CA 1.513 2.72 0 C-N-CA 127.287 2.235 . . . . 0.0 106.601 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -17.56 124.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 O-C-N 126.328 2.268 . . . . 0.0 115.542 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.495 1.799 0 O-C-N 124.424 1.077 . . . . 0.0 109.951 179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 94.0 mttt . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.1 p -103.71 126.43 50.85 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -122.0 147.16 46.41 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 113.885 -1.507 . . . . 0.0 109.606 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -118.52 150.94 38.79 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.387 1.055 . . . . 0.0 110.677 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 40.6 t -84.52 159.16 20.76 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.307 -1.315 . . . . 0.0 109.387 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -117.17 38.32 3.58 Favored 'General case' 0 N--CA 1.502 2.168 0 CA-C-O 121.541 0.686 . . . . 0.0 110.558 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.488 ' CE2' HG23 ' A' ' 22' ' ' ILE . 86.3 m-85 -142.16 -55.82 0.45 Allowed 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.645 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 20.6 p -116.22 -150.14 0.46 Allowed 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 114.075 -1.421 . . . . 0.0 110.284 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -92.92 -32.89 14.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 123.697 0.623 . . . . 0.0 110.271 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 56.0 t80 -19.16 114.46 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.315 0 O-C-N 125.308 1.63 . . . . 0.0 114.562 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.539 ' HD3' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -128.5 131.41 48.32 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 102.68 -3.082 . . . . 0.0 102.68 179.563 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.3 m -146.59 170.5 16.8 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 124.297 0.998 . . . . 0.0 111.898 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -125.5 31.2 5.59 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' HB3' ' A' ' 17' ' ' ASN . 10.3 t0 -129.08 81.3 2.02 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.0 t -39.7 -52.82 2.25 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.293 0.37 . . . . 0.0 111.73 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m -49.59 -54.61 17.32 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 123.908 0.755 . . . . 0.0 109.108 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB3' ' HB3' ' A' ' 14' ' ' ASP . 2.3 t-20 -57.35 -48.27 79.44 Favored 'General case' 0 N--CA 1.489 1.52 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 tp -54.56 -49.89 69.27 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -57.45 -50.13 74.01 Favored 'General case' 0 N--CA 1.498 1.963 0 C-N-CA 118.015 -1.474 . . . . 0.0 107.438 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.8 m -50.25 -56.44 11.12 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -42.7 -59.22 2.01 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.565 1.166 . . . . 0.0 108.591 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.488 HG23 ' CE2' ' A' ' 7' ' ' TYR . 79.6 mt -53.12 -41.2 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.777 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -84.22 -13.72 51.93 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 116.438 2.014 . . . . 0.0 116.438 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.3 t -108.92 -17.44 13.92 Favored 'General case' 0 N--CA 1.501 2.124 0 CA-C-N 117.964 0.347 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -110.16 -42.04 4.27 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.218 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -117.1 -110.09 0.36 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.299 0.999 . . . . 0.0 112.378 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 69.2 m 110.96 170.54 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.414 0 C-N-CA 128.228 2.611 . . . . 0.0 108.945 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 27' ' ' SER . 24.7 tptp 116.59 -65.09 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.507 0 C-N-CA 127.421 2.288 . . . . 0.0 110.171 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -131.81 -144.69 0.25 Allowed 'General case' 0 N--CA 1.501 2.117 0 O-C-N 124.041 0.838 . . . . 0.0 109.664 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.3 pttt . . . . . 0 N--CA 1.5 2.038 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.7 p -119.81 173.8 6.82 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 124.187 0.929 . . . . 0.0 109.01 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -119.6 148.26 43.54 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -127.31 151.85 48.21 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.3 t -77.73 163.47 26.12 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.526 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -112.93 19.63 17.12 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.932 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -137.64 -57.4 0.68 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 123.609 0.568 . . . . 0.0 111.54 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 10' ' ' PHE . 19.7 p -108.29 -169.2 1.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.055 0.847 . . . . 0.0 110.403 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -98.67 59.37 1.25 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.9 t80 -112.19 122.37 47.55 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.815 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -120.77 146.17 46.79 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 103.498 -2.778 . . . . 0.0 103.498 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.558 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 0.7 OUTLIER -139.92 170.17 16.36 Favored 'General case' 0 N--CA 1.497 1.919 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.087 -179.408 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.22 19.44 17.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 124.268 0.98 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -134.88 148.79 50.19 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.9 t -115.99 23.12 12.46 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 121.962 0.887 . . . . 0.0 112.65 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -121.96 -41.68 2.43 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 102.257 -3.238 . . . . 0.0 102.257 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -77.32 -48.88 16.25 Favored 'General case' 0 N--CA 1.486 1.327 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.502 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 49.0 tp -50.48 -37.7 40.02 Favored 'General case' 0 N--CA 1.507 2.406 0 CA-C-N 119.907 1.231 . . . . 0.0 112.622 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -70.02 -47.77 60.76 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.6 m -54.57 -44.31 72.84 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 25' ' ' LYS . 37.1 t60 -47.23 -60.54 2.41 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 68.8 mt -47.02 -57.11 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -51.87 -47.98 64.26 Favored 'General case' 0 N--CA 1.503 2.183 0 N-CA-C 115.707 1.743 . . . . 0.0 115.707 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -77.45 -37.42 51.55 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 21' ' ' HIS . 49.9 mttm -94.33 -30.1 14.69 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 117.159 2.281 . . . . 0.0 117.159 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -117.0 63.07 0.72 Allowed 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.629 0.728 . . . . 0.0 112.923 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.5 t -125.03 27.95 6.55 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.362 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -131.57 -46.6 0.97 Allowed 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 114.021 -1.445 . . . . 0.0 108.642 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 28.44 -75.58 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.144 0 O-C-N 126.639 2.462 . . . . 0.0 114.316 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' LYS . 36.3 mmtp . . . . . 0 N--CA 1.506 2.352 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 63.2 tttm . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 t -125.61 169.39 12.53 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 122.579 1.181 . . . . 0.0 113.793 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -124.32 132.04 53.54 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 101.996 -3.335 . . . . 0.0 101.996 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.429 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 3.0 tm0? -118.59 157.0 28.2 Favored 'General case' 0 N--CA 1.502 2.167 0 C-N-CA 119.603 -0.839 . . . . 0.0 110.374 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.429 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 52.5 t -72.53 168.92 17.57 Favored 'General case' 0 N--CA 1.498 1.926 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.099 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -121.18 15.16 11.44 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 123.403 0.439 . . . . 0.0 111.299 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -125.12 -55.5 1.57 Allowed 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 p -115.97 -170.29 1.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 CA-C-N 114.712 -1.131 . . . . 0.0 108.464 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -106.4 67.03 0.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 123.575 1.655 . . . . 0.0 110.252 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 73.4 t80 -114.75 112.2 22.45 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 111.68 -2.509 . . . . 0.0 106.959 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.616 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -111.01 136.4 50.07 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 179.672 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.58 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 6.7 m -138.0 178.1 7.38 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-N 114.559 -1.201 . . . . 0.0 108.423 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -117.69 16.92 14.47 Favored 'General case' 0 N--CA 1.499 2.018 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.208 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -129.83 163.14 26.93 Favored 'General case' 0 N--CA 1.498 1.925 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.302 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.7 t -126.52 34.65 4.77 Favored 'General case' 0 N--CA 1.501 2.094 0 CA-C-O 122.2 1.0 . . . . 0.0 112.009 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -132.6 -47.78 0.89 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -69.16 -41.15 77.62 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.3 tp -67.33 -21.49 65.65 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 123.511 0.507 . . . . 0.0 110.475 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -79.84 -51.21 9.42 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 105.673 -1.973 . . . . 0.0 105.673 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 m -52.45 -49.52 64.47 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -40.13 -60.6 1.02 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 124.617 1.198 . . . . 0.0 107.871 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.0 mt -52.22 -56.13 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 123.759 0.662 . . . . 0.0 112.136 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -49.45 -36.02 21.26 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 117.808 2.521 . . . . 0.0 117.808 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -100.13 -29.36 12.54 Favored 'General case' 0 N--CA 1.5 2.054 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -95.92 -22.03 17.68 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -126.4 61.88 1.29 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.1 t -120.93 152.87 37.97 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.207 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HG2' ' H ' ' A' ' 29' ' ' GLU . 16.2 ttpp -132.67 -171.05 2.56 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' H ' ' HG2' ' A' ' 28' ' ' LYS . 6.6 mm-40 -112.54 176.76 4.89 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.265 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm . . . . . 0 N--CA 1.499 2.021 0 O-C-N 124.316 1.01 . . . . 0.0 109.129 -179.767 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 76.2 p -101.97 -172.18 2.1 Favored 'General case' 0 N--CA 1.503 2.186 0 O-C-N 119.975 -1.703 . . . . 0.0 109.31 0.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -121.03 137.89 54.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 123.825 0.703 . . . . 0.0 110.239 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -118.25 138.76 52.13 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 106.846 -1.539 . . . . 0.0 106.846 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.9 t -61.21 163.11 6.64 Favored 'General case' 0 N--CA 1.495 1.803 0 CA-C-N 114.81 -1.087 . . . . 0.0 111.176 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -116.16 28.51 8.55 Favored 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -137.99 -58.38 0.66 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.685 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.9 p -116.3 -166.72 1.18 Allowed 'General case' 0 N--CA 1.495 1.786 0 CA-C-N 114.227 -1.351 . . . . 0.0 110.618 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.88 62.19 0.9 Allowed 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 114.169 -1.378 . . . . 0.0 109.438 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -111.66 117.14 32.09 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-N 113.004 -1.907 . . . . 0.0 106.696 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -118.52 122.22 42.14 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 124.549 1.156 . . . . 0.0 107.886 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.7 m -142.15 169.66 17.16 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 123.649 0.593 . . . . 0.0 111.195 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.19 36.96 4.46 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.721 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -130.17 155.96 45.37 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 115.222 -0.899 . . . . 0.0 108.697 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 62.4 m -123.99 18.7 9.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 123.727 0.642 . . . . 0.0 111.046 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 93.8 p -120.85 -33.5 3.75 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -105.61 7.88 32.97 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.436 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.8 tp -104.82 -40.4 5.97 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 10.9 mptt -70.56 -38.39 74.12 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 104.775 -2.305 . . . . 0.0 104.775 179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.1 m -68.51 -45.08 73.25 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 104.542 -2.392 . . . . 0.0 104.542 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 51.0 t60 -45.82 -61.49 1.7 Allowed 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 73.4 mt -49.38 -58.49 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -48.73 -44.81 38.75 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 116.318 1.97 . . . . 0.0 116.318 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.0 p -85.19 -37.24 20.36 Favored 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -82.74 -30.34 29.1 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -121.94 -55.13 1.9 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 123.653 0.596 . . . . 0.0 111.035 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.3 p 96.06 166.72 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.389 0 O-C-N 126.649 2.468 . . . . 0.0 111.739 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -134.37 -81.87 0.45 Allowed 'General case' 0 N--CA 1.501 2.099 0 C-N-CA 125.669 1.588 . . . . 0.0 109.828 -0.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 30' ' ' LYS . 31.5 tt0 -133.05 -178.64 5.06 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 114.141 -1.391 . . . . 0.0 107.563 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 29' ' ' GLU . 60.5 pttt . . . . . 0 N--CA 1.498 1.945 0 CA-C-O 122.461 1.124 . . . . 0.0 109.656 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.1 p -103.69 166.34 10.48 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.355 -1.466 . . . . 0.0 107.953 -0.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -121.53 129.14 52.72 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.552 HE22 ' N ' ' A' ' 10' ' ' PHE . 48.0 tp60 -117.39 138.03 52.08 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 124.441 1.088 . . . . 0.0 108.623 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.2 t -58.44 158.25 7.74 Favored 'General case' 0 N--CA 1.494 1.775 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.27 28.51 8.44 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 123.964 0.79 . . . . 0.0 110.583 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -133.53 -57.59 0.89 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -119.56 -162.65 0.93 Allowed 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.102 -1.408 . . . . 0.0 107.282 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -114.33 65.01 0.66 Allowed 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 122.97 1.367 . . . . 0.0 110.28 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.552 ' N ' HE22 ' A' ' 4' ' ' GLN . 34.9 t80 -103.1 124.7 49.05 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 103.363 -2.828 . . . . 0.0 103.363 179.555 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.6 ptt85 -118.75 132.93 56.15 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 123.758 0.661 . . . . 0.0 110.961 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 67.1 m -145.63 169.4 18.51 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.072 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.29 44.26 2.71 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.3 t70 -112.68 -65.29 1.2 Allowed 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 114.35 -1.295 . . . . 0.0 109.339 -179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.3 t 108.19 -65.43 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 125.84 1.962 . . . . 0.0 107.103 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 m -51.3 -43.79 61.75 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 121.762 0.791 . . . . 0.0 109.794 179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -82.42 -12.21 58.04 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 113.902 -1.499 . . . . 0.0 113.131 -179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.3 tp -79.85 -42.49 24.17 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 101.518 -3.512 . . . . 0.0 101.518 179.194 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.49 -45.6 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 104.267 -2.494 . . . . 0.0 104.267 179.171 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.5 m -52.74 -56.83 12.79 Favored 'General case' 0 N--CA 1.503 2.203 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 179.299 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -42.22 -57.97 2.33 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.12 -49.89 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -62.09 -32.41 72.96 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -93.02 -29.42 15.83 Favored 'General case' 0 N--CA 1.501 2.093 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -101.93 -27.04 13.2 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 -179.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.414 ' O ' ' CB ' ' A' ' 27' ' ' SER . 94.4 m-70 -119.3 -45.47 2.54 Favored 'General case' 0 N--CA 1.502 2.153 0 N-CA-C 115.081 1.511 . . . . 0.0 115.081 -179.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.414 ' CB ' ' O ' ' A' ' 26' ' ' HIS . 46.8 t 125.91 173.52 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.442 0 O-C-N 126.308 2.255 . . . . 0.0 105.445 -179.63 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -113.83 12.52 18.23 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 123.432 0.457 . . . . 0.0 109.834 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -96.54 159.6 14.85 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-N 114.103 -1.408 . . . . 0.0 110.544 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.9 p -105.56 163.87 12.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 123.606 0.566 . . . . 0.0 109.522 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -129.1 146.26 51.09 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 123.425 0.453 . . . . 0.0 111.717 -179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 5' ' ' CYS . 55.5 tp60 -120.87 159.51 25.35 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.523 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.448 ' H ' ' NE2' ' A' ' 4' ' ' GLN . 51.4 t -93.29 144.6 25.15 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -107.35 32.84 4.36 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 124.413 1.071 . . . . 0.0 109.199 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HD2' ' SG ' ' A' ' 5' ' ' CYS . 29.8 m-85 -134.09 -57.73 0.86 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.1 p -118.73 -162.72 0.91 Allowed 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.534 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -103.81 58.93 0.73 Allowed 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.563 -1.198 . . . . 0.0 109.335 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -109.47 125.04 52.03 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.283 -1.747 . . . . 0.0 106.283 179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -129.61 130.6 45.86 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.4 m -146.34 171.78 14.49 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -179.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.31 47.79 1.94 Allowed 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.749 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' SER . 64.6 t0 -125.19 -72.92 0.65 Allowed 'General case' 0 N--CA 1.498 1.958 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.481 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 32.5 t 108.79 -48.31 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 104.221 -2.511 . . . . 0.0 104.221 -179.581 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.3 t -60.9 -32.83 72.29 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -105.95 21.26 17.61 Favored 'General case' 0 N--CA 1.497 1.915 0 CA-C-O 121.883 0.849 . . . . 0.0 110.304 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.0 tp -108.11 -41.38 4.94 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 102.102 -3.295 . . . . 0.0 102.102 179.342 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -75.08 -20.75 59.36 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.29 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.6 m -90.18 -4.71 57.08 Favored 'General case' 0 N--CA 1.505 2.299 0 CA-C-O 122.224 1.011 . . . . 0.0 108.296 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.33 -67.25 0.86 Allowed 'General case' 0 C--N 1.301 -1.541 1 N-CA-C 97.858 -4.868 . . . . 0.0 97.858 178.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -39.35 -50.37 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.247 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 179.479 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 24' ' ' THR . 45.5 tttm -107.47 106.43 16.83 Favored 'General case' 0 N--CA 1.489 1.512 1 N-CA-C 100.094 -4.039 . . . . 0.0 100.094 179.343 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 23' ' ' LYS . 10.1 t -119.17 66.83 0.79 Allowed 'General case' 0 N--CA 1.508 2.436 0 N-CA-C 120.912 3.671 . . . . 0.0 120.912 0.415 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -100.71 -34.17 9.96 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 112.718 -2.037 . . . . 0.0 108.265 178.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -125.6 43.68 3.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 124.081 0.863 . . . . 0.0 110.314 -179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.9 p -7.04 96.93 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -98.37 61.41 1.42 Allowed 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 122.634 1.207 . . . . 0.0 110.722 -179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -127.46 161.42 28.77 Favored 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 112.573 -2.103 . . . . 0.0 109.359 179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 122.57 1.176 . . . . 0.0 110.301 179.847 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 t -118.52 173.66 6.7 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 124.357 1.035 . . . . 0.0 110.24 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -113.76 144.97 42.08 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 179.884 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.43 HE22 ' N ' ' A' ' 10' ' ' PHE . 61.6 tp60 -117.35 139.51 50.77 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 124.778 1.299 . . . . 0.0 110.912 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.8 t -69.36 150.12 47.65 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 114.192 -1.367 . . . . 0.0 108.208 179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -109.38 28.01 8.96 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 123.98 0.8 . . . . 0.0 110.474 -179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -128.2 -54.73 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.4 p -122.31 -162.88 1.03 Allowed 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 114.403 -1.271 . . . . 0.0 107.796 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -108.7 61.41 0.6 Allowed 'General case' 0 N--CA 1.492 1.665 0 CA-C-N 114.808 -1.087 . . . . 0.0 108.384 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.469 ' CE1' ' OG ' ' A' ' 12' ' ' SER . 31.3 t80 -106.23 128.85 54.25 Favored 'General case' 0 N--CA 1.5 2.03 0 CA-C-N 113.188 -1.824 . . . . 0.0 106.252 179.7 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.74 132.6 47.97 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 123.972 0.795 . . . . 0.0 109.564 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.469 ' OG ' ' CE1' ' A' ' 10' ' ' PHE . 60.7 m -144.59 153.88 42.25 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.79 45.91 1.75 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.846 -0.742 . . . . 0.0 110.615 -179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 9.9 t70 -120.33 -59.67 1.75 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.43 179.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 34.3 t 113.33 -53.14 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.215 0 O-C-N 126.34 2.275 . . . . 0.0 105.462 -179.844 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -58.26 -51.47 69.63 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -51.9 -46.24 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.008 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 38.5 tp -64.55 -52.07 59.56 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.78 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -57.74 -47.95 81.0 Favored 'General case' 0 N--CA 1.501 2.11 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -57.94 -45.88 85.93 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.389 -1.337 . . . . 0.0 107.389 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 57.6 t60 -51.56 -56.73 11.85 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 179.472 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.7 mt -47.86 -46.67 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.17 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 179.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -69.78 -44.1 70.82 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.3 m -68.24 -38.56 81.95 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 4.0 mmmp? -102.41 -37.8 7.87 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.32 2.341 . . . . 0.0 117.32 -179.476 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -111.89 27.34 9.75 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.1 m -129.62 -86.43 0.53 Allowed 'General case' 0 N--CA 1.501 2.114 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.713 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -126.17 146.31 50.01 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 124.275 0.985 . . . . 0.0 109.481 -179.905 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -131.18 60.41 1.66 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.975 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.5 mttm . . . . . 0 N--CA 1.499 2.009 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.328 179.671 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 57.6 mttm . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 t -97.05 174.92 6.51 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 119.931 -1.731 . . . . 0.0 109.053 0.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -122.74 146.59 47.37 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 113.178 -1.828 . . . . 0.0 108.82 -179.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -124.0 157.94 33.25 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 124.088 0.868 . . . . 0.0 109.841 -179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.5 t -81.69 162.32 23.05 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.328 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -124.11 40.59 3.7 Favored 'General case' 0 N--CA 1.501 2.095 0 CA-C-O 122.428 1.109 . . . . 0.0 109.736 -179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 22' ' ' ILE . 84.0 m-85 -140.36 -53.88 0.51 Allowed 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 113.526 -1.67 . . . . 0.0 106.516 179.772 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.8 p -120.74 -164.1 1.08 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 113.639 -1.619 . . . . 0.0 108.416 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 0.9 OUTLIER -109.34 59.8 0.6 Allowed 'General case' 0 N--CA 1.496 1.871 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.716 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CZ ' ' OG ' ' A' ' 12' ' ' SER . 66.4 t80 -105.52 125.89 51.5 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 112.868 -1.969 . . . . 0.0 107.265 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -128.51 129.74 46.49 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 179.692 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.42 ' OG ' ' CZ ' ' A' ' 10' ' ' PHE . 39.9 m -142.99 161.61 37.67 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.369 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.01 22.84 15.36 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.206 -179.773 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.79 159.38 24.66 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.3 t -110.64 -53.56 2.68 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 63.0 m -52.68 -38.0 59.77 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 123.662 0.601 . . . . 0.0 111.005 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -91.73 6.04 47.48 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -179.619 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 45.1 tp -106.15 -45.69 4.26 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 179.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -63.93 -37.96 89.33 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 105.874 -1.899 . . . . 0.0 105.874 179.473 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.3 m -65.97 -46.65 77.29 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 179.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.404 ' HB3' ' O ' ' A' ' 18' ' ' LEU . 60.6 t60 -46.89 -56.23 6.69 Favored 'General case' 0 N--CA 1.503 2.178 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.4 HG23 ' CE2' ' A' ' 7' ' ' TYR . 82.2 mt -56.45 -36.33 47.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.732 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -92.12 3.56 55.04 Favored 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -120.15 -38.04 2.98 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 112.697 0.628 . . . . 0.0 112.697 179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -94.53 -35.8 12.12 Favored 'General case' 0 N--CA 1.493 1.717 0 C-N-CA 124.771 1.229 . . . . 0.0 110.714 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -110.55 60.77 0.61 Allowed 'General case' 0 N--CA 1.5 2.062 0 CA-C-O 122.317 1.056 . . . . 0.0 110.728 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.9 m -126.21 50.5 1.88 Allowed 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 113.201 -1.818 . . . . 0.0 109.586 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -5.12 86.67 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.49 0 N-CA-C 115.728 1.751 . . . . 0.0 115.728 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -110.11 53.34 0.7 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.9 tptm . . . . . 0 N--CA 1.495 1.82 0 CA-C-N 112.911 -1.95 . . . . 0.0 108.337 -179.927 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 41.4 pttt . . . . . 0 N--CA 1.494 1.764 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.3 m -113.03 158.99 19.61 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 122.305 1.05 . . . . 0.0 110.139 -179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -130.22 144.03 51.13 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 112.186 -2.279 . . . . 0.0 107.435 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.477 HE22 ' N ' ' A' ' 10' ' ' PHE . 53.2 tp60 -121.58 138.99 54.08 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 124.236 0.96 . . . . 0.0 111.62 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' SG ' ' HB2' ' A' ' 7' ' ' TYR . 50.5 t -65.48 146.17 55.21 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-N 114.695 -1.139 . . . . 0.0 108.609 179.785 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -107.84 36.95 2.57 Favored 'General case' 0 N--CA 1.501 2.122 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.445 ' HB2' ' SG ' ' A' ' 5' ' ' CYS . 86.5 m-85 -136.51 -56.45 0.74 Allowed 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 113.671 -1.604 . . . . 0.0 107.738 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.3 p -122.44 -165.0 1.23 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.71 59.07 0.63 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 122.832 1.301 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.638 ' CE2' ' OG ' ' A' ' 12' ' ' SER . 70.5 t80 -110.57 126.67 54.68 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-N 112.873 -1.967 . . . . 0.0 106.232 179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.3 ptt-85 -121.36 141.21 51.17 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.638 ' OG ' ' CE2' ' A' ' 10' ' ' PHE . 5.5 m -140.3 159.25 42.61 Favored 'General case' 0 N--CA 1.504 2.234 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -179.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -119.12 48.65 1.45 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 120.0 -0.68 . . . . 0.0 112.167 -179.813 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 15' ' ' SER . 12.7 t70 -130.68 -64.84 0.82 Allowed 'General case' 0 N--CA 1.495 1.815 0 CA-C-N 114.42 -1.264 . . . . 0.0 109.945 179.622 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 14' ' ' ASP . 47.4 t 117.97 -66.95 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.421 0 C-N-CA 126.891 2.076 . . . . 0.0 109.371 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 90.5 p -58.8 -27.46 65.07 Favored 'General case' 0 N--CA 1.501 2.107 0 C-N-CA 119.651 -0.82 . . . . 0.0 110.146 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.46 -40.69 57.15 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 179.787 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.5 tp -60.42 -49.63 76.8 Favored 'General case' 0 N--CA 1.499 1.981 0 C-N-CA 119.74 -0.784 . . . . 0.0 108.983 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -55.69 -45.47 77.8 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 52.4 m -56.07 -55.3 34.58 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 179.492 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -40.35 -58.11 1.6 Allowed 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -49.27 -53.27 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -66.42 -21.26 66.21 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -179.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.3 t -109.46 -12.31 14.72 Favored 'General case' 0 N--CA 1.505 2.322 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -107.02 -34.52 7.15 Favored 'General case' 0 N--CA 1.503 2.21 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -179.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -106.31 -48.04 3.66 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -179.529 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.4 p -110.44 174.89 5.65 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 124.662 1.226 . . . . 0.0 112.237 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -128.77 99.72 5.43 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 106.19 -1.782 . . . . 0.0 106.19 179.805 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 19.15 92.12 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.449 0 O-C-N 125.204 1.565 . . . . 0.0 114.402 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.3 ptpp? . . . . . 0 N--CA 1.495 1.803 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.412 -179.564 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_