data_1cxx_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 1cxx _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 full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.503 0.668 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -87.52 81.28 7.82 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.32 137.82 15.93 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.269 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 13.5 t -90.75 115.11 27.57 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.399 -2.182 . . . . 0.0 106.192 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.1 4.82 24.73 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 111.729 -2.487 . . . . 0.0 111.728 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -87.23 -57.89 2.79 Favored 'General case' 0 C--N 1.361 1.092 0 O-C-N 124.099 0.874 . . . . 0.0 110.554 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 30.1 p -90.58 -13.63 34.08 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.667 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 87.22 -5.16 85.61 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.58 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.69 157.99 18.36 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.9 t -82.59 157.28 23.52 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 117.973 -1.491 . . . . 0.0 108.647 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.05 165.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.263 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -79.05 -96.07 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 112.265 -2.243 . . . . 0.0 109.161 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -171.9 -56.56 0.02 OUTLIER 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.579 1.175 . . . . 0.0 108.411 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -114.56 69.76 0.72 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.511 -2.132 . . . . 0.0 109.493 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -164.94 -62.58 0.03 OUTLIER 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.808 -1.996 . . . . 0.0 108.573 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 136.52 58.1 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.028 -178.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.17 131.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 112.116 -2.311 . . . . 0.0 105.647 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 18.6 tt -99.74 135.9 33.29 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 124.804 1.315 . . . . 0.0 109.974 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -109.88 52.78 0.62 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 112.406 -2.179 . . . . 0.0 108.823 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 63.2 83.08 0.17 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.899 -1.65 . . . . 0.0 109.628 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.29 -78.98 0.84 Allowed Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.878 -1.965 . . . . 0.0 109.961 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.11 107.19 0.79 Allowed Pre-proline 0 CA--C 1.559 1.309 0 CA-C-N 112.438 -1.881 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -98.88 135.19 0.28 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 121.842 1.695 . . . . 0.0 111.852 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -132.17 151.58 51.72 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.571 -1.65 . . . . 0.0 108.668 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -68.08 159.11 31.54 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.627 -1.624 . . . . 0.0 108.691 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.428 ' HB3' ' HZ2' ' A' ' 142' ' ' LYS . 8.5 mtpm? -60.21 -38.15 82.47 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 113.1 -1.864 . . . . 0.0 111.374 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.112 -1.858 . . . . 0.0 111.696 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 92.9 m -75.11 -8.8 57.59 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.842 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.25 97.39 5.52 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 122.404 1.097 . . . . 0.0 108.71 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -127.85 136.53 51.54 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 111.881 -2.418 . . . . 0.0 107.752 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 37.2 t -64.09 162.0 15.08 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.595 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -115.76 -1.35 12.67 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.345 -1.752 . . . . 0.0 112.125 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 171' ' ' CYS . 7.2 mmmt -98.08 -64.58 1.03 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' CYS . . . . . 0.488 ' SG ' ' HG2' ' A' ' 152' ' ' LYS . 27.0 p -92.12 -46.48 7.74 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.007 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 91.44 61.12 1.26 Allowed Glycine 0 CA--C 1.538 1.53 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.66 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.488 ' HG2' ' SG ' ' A' ' 150' ' ' CYS . 21.7 pttp -132.2 -177.47 4.47 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 122.145 0.974 . . . . 0.0 109.161 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.8 p -65.51 143.53 57.6 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.4 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.57 136.12 9.16 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.409 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -170.65 88.35 0.13 Allowed 'General case' 0 C--N 1.348 0.519 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.01 -177.53 3.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 111.212 -2.722 . . . . 0.0 113.44 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.0 p -82.59 -57.2 3.44 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 109.626 -3.443 . . . . 0.0 109.207 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 76.0 p -82.76 -56.87 3.58 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.995 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt 67.64 132.04 0.02 OUTLIER 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.748 -2.933 . . . . 0.0 109.459 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' THR . . . . . . . . . . . . 0.274 67.3 p -100.1 131.68 45.91 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 110.55 -3.023 . . . . 0.0 109.416 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.57 128.48 6.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.514 -2.585 . . . . 0.0 105.785 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -115.04 178.01 4.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 113.745 -1.57 . . . . 0.0 107.17 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.02 33.32 1.07 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.529 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.96 6.13 2.56 Favored Glycine 0 C--N 1.356 1.666 0 CA-C-O 117.371 -1.794 . . . . 0.0 110.026 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 140.1 -166.08 0.0 OUTLIER 'General case' 0 C--N 1.382 2.021 0 C-N-CA 128.303 2.641 . . . . 0.0 110.221 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 1.5 pt -124.19 129.44 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' TYR . . . . . 0.494 ' N ' ' CD1' ' A' ' 167' ' ' TYR . 16.5 m-85 -120.65 170.57 9.31 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 111.196 -2.729 . . . . 0.0 113.277 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.6 p -92.83 144.66 25.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 112.055 -2.338 . . . . 0.0 105.442 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -22.22 64.08 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-O 122.136 0.97 . . . . 0.0 112.91 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.89 76.4 Favored Glycine 0 CA--C 1.54 1.65 0 CA-C-N 111.987 -2.37 . . . . 0.0 112.155 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 149' ' ' LYS . 1.0 OUTLIER -65.46 -37.47 86.96 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 114.871 -0.664 . . . . 0.0 111.481 179.535 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -82.55 -20.98 35.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 125.019 1.449 . . . . 0.0 110.972 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -70.27 -39.82 74.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.87 -45.37 61.58 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 113.008 -1.905 . . . . 0.0 109.477 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--N 1.352 0.69 0 CA-C-N 112.778 -2.01 . . . . 0.0 108.779 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.503 0.668 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -87.52 81.28 7.82 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.32 137.82 15.93 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.269 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 122' ' ' ALA . 13.5 t -90.75 115.11 27.57 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.399 -2.182 . . . . 0.0 106.192 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.1 4.82 24.73 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 111.729 -2.487 . . . . 0.0 111.728 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.419 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -87.23 -57.89 2.79 Favored 'General case' 0 C--N 1.361 1.092 0 O-C-N 124.099 0.874 . . . . 0.0 110.554 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 30.1 p -90.58 -13.63 34.08 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.667 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 87.22 -5.16 85.61 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.58 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.69 157.99 18.36 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.9 t -82.59 157.28 23.52 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 117.973 -1.491 . . . . 0.0 108.647 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.05 165.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.263 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -79.05 -96.07 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 112.265 -2.243 . . . . 0.0 109.161 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -171.9 -56.56 0.02 OUTLIER 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.579 1.175 . . . . 0.0 108.411 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -114.56 69.76 0.72 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.511 -2.132 . . . . 0.0 109.493 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -164.94 -62.58 0.03 OUTLIER 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.808 -1.996 . . . . 0.0 108.573 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 136.52 58.1 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.028 -178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.17 131.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 112.116 -2.311 . . . . 0.0 105.647 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 18.6 tt -99.74 135.9 33.29 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 124.804 1.315 . . . . 0.0 109.974 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -109.88 52.78 0.62 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 112.406 -2.179 . . . . 0.0 108.823 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 63.2 83.08 0.17 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.899 -1.65 . . . . 0.0 109.628 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.29 -78.98 0.84 Allowed Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.878 -1.965 . . . . 0.0 109.961 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.11 107.19 0.79 Allowed Pre-proline 0 CA--C 1.559 1.309 0 CA-C-N 112.438 -1.881 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -98.88 135.19 0.28 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 121.842 1.695 . . . . 0.0 111.852 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -132.17 151.58 51.72 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.571 -1.65 . . . . 0.0 108.668 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -68.08 159.11 31.54 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.627 -1.624 . . . . 0.0 108.691 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -60.21 -38.15 82.47 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 113.1 -1.864 . . . . 0.0 111.374 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.112 -1.858 . . . . 0.0 111.696 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 92.9 m -75.11 -8.8 57.59 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.842 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -78.25 97.39 5.52 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 122.404 1.097 . . . . 0.0 108.71 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -127.85 136.53 51.54 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 111.881 -2.418 . . . . 0.0 107.752 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' CYS . . . . . 0.421 ' HB3' ' H ' ' A' ' 151' ' ' GLY . 37.2 t -64.09 162.0 15.08 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.595 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 167' ' ' TYR . . . -115.76 -1.35 12.67 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.345 -1.752 . . . . 0.0 112.125 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 171' ' ' CYS . 7.2 mmmt -98.08 -64.58 1.03 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 152' ' ' LYS . 27.0 p -92.12 -46.48 7.74 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.007 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.421 ' H ' ' HB3' ' A' ' 147' ' ' CYS . . . 91.44 61.12 1.26 Allowed Glycine 0 CA--C 1.538 1.53 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.66 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.512 ' HG2' ' SG ' ' A' ' 150' ' ' CYS . 21.7 pttp -132.2 -177.47 4.47 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 122.145 0.974 . . . . 0.0 109.161 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.8 p -65.51 143.53 57.6 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.4 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' A' ' 145' ' ' PHE . 0.8 OUTLIER -159.57 136.12 9.16 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.409 -179.457 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -170.65 88.35 0.13 Allowed 'General case' 0 C--N 1.348 0.519 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.01 -177.53 3.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 111.212 -2.722 . . . . 0.0 113.44 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.0 p -82.59 -57.2 3.44 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 109.626 -3.443 . . . . 0.0 109.207 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 76.0 p -82.76 -56.87 3.58 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.995 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt 67.64 132.04 0.02 OUTLIER 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.748 -2.933 . . . . 0.0 109.459 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' THR . . . . . . . . . . . . 0.274 67.3 p -100.1 131.68 45.91 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 110.55 -3.023 . . . . 0.0 109.416 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.57 128.48 6.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.514 -2.585 . . . . 0.0 105.785 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LYS . . . . . 0.425 ' HG2' ' CE1' ' A' ' 167' ' ' TYR . 25.8 mmmt -115.04 178.01 4.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 113.745 -1.57 . . . . 0.0 107.17 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.02 33.32 1.07 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.529 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.96 6.13 2.56 Favored Glycine 0 C--N 1.356 1.666 0 CA-C-O 117.371 -1.794 . . . . 0.0 110.026 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 140.1 -166.08 0.0 OUTLIER 'General case' 0 C--N 1.382 2.021 0 C-N-CA 128.303 2.641 . . . . 0.0 110.221 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 1.5 pt -124.19 129.44 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 148' ' ' ALA . 16.5 m-85 -120.65 170.57 9.31 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 111.196 -2.729 . . . . 0.0 113.277 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.6 p -92.83 144.66 25.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 112.055 -2.338 . . . . 0.0 105.442 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -22.22 64.08 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-O 122.136 0.97 . . . . 0.0 112.91 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.89 76.4 Favored Glycine 0 CA--C 1.54 1.65 0 CA-C-N 111.987 -2.37 . . . . 0.0 112.155 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 149' ' ' LYS . 1.0 OUTLIER -65.46 -37.47 86.96 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 114.871 -0.664 . . . . 0.0 111.481 179.535 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -82.55 -20.98 35.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 125.019 1.449 . . . . 0.0 110.972 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -70.27 -39.82 74.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.87 -45.37 61.58 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 113.008 -1.905 . . . . 0.0 109.477 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--N 1.352 0.69 0 CA-C-N 112.778 -2.01 . . . . 0.0 108.779 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 121.503 0.668 . . . . 0.0 110.765 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -87.52 81.28 7.82 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 113.036 -1.893 . . . . 0.0 109.83 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.32 137.82 15.93 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 117.865 -1.534 . . . . 0.0 112.269 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 122' ' ' ALA . 13.5 t -90.75 115.11 27.57 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.399 -2.182 . . . . 0.0 106.192 177.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.1 4.82 24.73 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 111.729 -2.487 . . . . 0.0 111.728 -179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.419 ' HB3' ' SG ' ' A' ' 120' ' ' CYS . . . -87.23 -57.89 2.79 Favored 'General case' 0 C--N 1.361 1.092 0 O-C-N 124.099 0.874 . . . . 0.0 110.554 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 30.1 p -90.58 -13.63 34.08 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.963 -1.471 . . . . 0.0 110.667 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 87.22 -5.16 85.61 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.58 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.69 157.99 18.36 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.9 t -82.59 157.28 23.52 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 117.973 -1.491 . . . . 0.0 108.647 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 33.5 m -86.05 165.6 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.263 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -79.05 -96.07 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 112.265 -2.243 . . . . 0.0 109.161 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -171.9 -56.56 0.02 OUTLIER 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.579 1.175 . . . . 0.0 108.411 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -114.56 69.76 0.72 Allowed 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.511 -2.132 . . . . 0.0 109.493 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -164.94 -62.58 0.03 OUTLIER 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.808 -1.996 . . . . 0.0 108.573 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.79 136.52 58.1 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.493 -2.14 . . . . 0.0 112.028 -178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.0 t -89.17 131.53 36.24 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 CA-C-N 112.116 -2.311 . . . . 0.0 105.647 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 18.6 tt -99.74 135.9 33.29 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 O-C-N 124.804 1.315 . . . . 0.0 109.974 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -109.88 52.78 0.62 Allowed Glycine 0 C--N 1.35 1.308 0 CA-C-N 112.406 -2.179 . . . . 0.0 108.823 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . 63.2 83.08 0.17 Allowed 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.899 -1.65 . . . . 0.0 109.628 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 95.29 -78.98 0.84 Allowed Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.878 -1.965 . . . . 0.0 109.961 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.11 107.19 0.79 Allowed Pre-proline 0 CA--C 1.559 1.309 0 CA-C-N 112.438 -1.881 . . . . 0.0 111.155 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -98.88 135.19 0.28 Allowed 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 121.842 1.695 . . . . 0.0 111.852 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -132.17 151.58 51.72 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.571 -1.65 . . . . 0.0 108.668 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -68.08 159.11 31.54 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.627 -1.624 . . . . 0.0 108.691 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -60.21 -38.15 82.47 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 113.1 -1.864 . . . . 0.0 111.374 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 113.112 -1.858 . . . . 0.0 111.696 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . . . . . . . . . 92.9 m -75.11 -8.8 57.59 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.842 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -78.25 97.39 5.52 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 122.404 1.097 . . . . 0.0 108.71 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -127.85 136.53 51.54 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 111.881 -2.418 . . . . 0.0 107.752 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . 0.421 ' HB3' ' H ' ' A' ' 151' ' ' GLY . 37.2 t -64.09 162.0 15.08 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.963 -1.926 . . . . 0.0 110.595 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.568 ' HB3' ' CE2' ' A' ' 167' ' ' TYR . . . -115.76 -1.35 12.67 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 113.345 -1.752 . . . . 0.0 112.125 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 171' ' ' CYS . 7.2 mmmt -98.08 -64.58 1.03 Allowed 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 152' ' ' LYS . 27.0 p -92.12 -46.48 7.74 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 113.678 -1.601 . . . . 0.0 111.007 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.421 ' H ' ' HB3' ' A' ' 147' ' ' CYS . . . 91.44 61.12 1.26 Allowed Glycine 0 CA--C 1.538 1.53 0 CA-C-N 113.528 -1.669 . . . . 0.0 113.66 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.512 ' HG2' ' SG ' ' A' ' 150' ' ' CYS . 21.7 pttp -132.2 -177.47 4.47 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 122.145 0.974 . . . . 0.0 109.161 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 73.8 p -65.51 143.53 57.6 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 112.469 -2.15 . . . . 0.0 109.4 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' A' ' 145' ' ' PHE . 0.8 OUTLIER -159.57 136.12 9.16 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 118.938 -1.105 . . . . 0.0 110.409 -179.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -170.65 88.35 0.13 Allowed 'General case' 0 C--N 1.348 0.519 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.01 -177.53 3.57 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 111.212 -2.722 . . . . 0.0 113.44 -176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 47.0 p -82.59 -57.2 3.44 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 109.626 -3.443 . . . . 0.0 109.207 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 76.0 p -82.76 -56.87 3.58 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.929 -2.396 . . . . 0.0 107.995 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 6.8 tt 67.64 132.04 0.02 OUTLIER 'General case' 0 C--N 1.349 0.585 0 CA-C-N 110.748 -2.933 . . . . 0.0 109.459 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' THR . . . . . . . . . . . . 0.274 67.3 p -100.1 131.68 45.91 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 110.55 -3.023 . . . . 0.0 109.416 -178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.57 128.48 6.58 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.514 -2.585 . . . . 0.0 105.785 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LYS . . . . . 0.425 ' HG2' ' CE1' ' A' ' 167' ' ' TYR . 25.8 mmmt -115.04 178.01 4.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 113.745 -1.57 . . . . 0.0 107.17 -178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -92.02 33.32 1.07 Allowed 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 112.523 -2.126 . . . . 0.0 108.529 177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.96 6.13 2.56 Favored Glycine 0 C--N 1.356 1.666 0 CA-C-O 117.371 -1.794 . . . . 0.0 110.026 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 140.1 -166.08 0.0 OUTLIER 'General case' 0 C--N 1.382 2.021 0 C-N-CA 128.303 2.641 . . . . 0.0 110.221 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 1.5 pt -124.19 129.44 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 CA-C-N 113.694 -1.594 . . . . 0.0 108.794 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 148' ' ' ALA . 16.5 m-85 -120.65 170.57 9.31 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 111.196 -2.729 . . . . 0.0 113.277 -178.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' CYS . . . . . . . . . . . . . 9.6 p -92.83 144.66 25.07 Favored 'General case' 0 C--N 1.358 0.941 0 CA-C-N 112.055 -2.338 . . . . 0.0 105.442 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -22.22 64.08 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-O 122.136 0.97 . . . . 0.0 112.91 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . -64.59 -29.89 76.4 Favored Glycine 0 CA--C 1.54 1.65 0 CA-C-N 111.987 -2.37 . . . . 0.0 112.155 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 149' ' ' LYS . 1.0 OUTLIER -65.46 -37.47 86.96 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 114.871 -0.664 . . . . 0.0 111.481 179.535 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -82.55 -20.98 35.53 Favored 'General case' 0 C--N 1.352 0.693 0 O-C-N 125.019 1.449 . . . . 0.0 110.972 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -70.27 -39.82 74.72 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -71.87 -45.37 61.58 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 113.008 -1.905 . . . . 0.0 109.477 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASN . . . . . . . . . . . . . 27.1 t30 . . . . . 0 C--N 1.352 0.69 0 CA-C-N 112.778 -2.01 . . . . 0.0 108.779 179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_