data_1gcc_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 1gcc _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 ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C4'-C3' 108.686 3.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.459 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.408 -3.437 1 P-O3'-C3' 124.685 4.154 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.965 0 O4'-C4'-C3' 109.39 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.271 2 O4'-C4'-C3' 109.732 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 0 O3'-P-O5' 96.7 -3.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 0 C2'-C3'-O3' 121.352 3.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.52 2 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 1 O4'-C4'-C3' 109.704 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.469 0 O4'-C4'-C3' 108.953 3.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O3'-P-O5' 97.671 -3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 0 P-O3'-C3' 123.648 3.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 O5'-C5'-C4' 113.983 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 1 P-O3'-C3' 125.124 4.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C4'-C3' 110.002 4.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DG' . . . . . 0.44 H5'' ' NH2' ' A' ' 147' ' ' ARG . . . . . . . . 0 O4'--C4' 1.404 -3.79 0 O4'-C4'-C3' 109.47 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 0 C2'-C3'-O3' 119.769 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 1 P-O3'-C3' 124.78 4.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.777 0 C1'-O4'-C4' 104.659 -3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.686 0 O4'-C4'-C3' 109.25 3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.074 1 O4'-C4'-C3' 109.715 4.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 O4'-C4'-C3' 109.146 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.459 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.77 1 O3'-P-O5' 95.113 -4.677 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -104.6 171.38 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 109.52 163.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -149.65 162.9 39.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 111.311 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.44 ' NH2' H5'' ' C' ' 17' ' ' ' DG' . 12.6 mtp-105 -69.75 126.95 31.25 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 126.782 2.033 . . . . 0.0 109.504 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.61 -19.0 6.38 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 127.325 2.393 . . . . 0.0 115.276 -166.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.32 129.29 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-N 118.679 1.24 . . . . 0.0 112.044 -158.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -135.49 109.14 7.99 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 113.458 -1.701 . . . . 0.0 109.288 -167.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.71 126.3 27.06 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.047 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 137.26 23.1 Favored Pre-proline 0 N--CA 1.45 -0.468 0 C-N-CA 126.747 2.019 . . . . 0.0 107.688 167.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -65.03 -20.3 63.78 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.222 2.615 . . . . 0.0 116.883 -157.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' TRP . . . . . . . . . . . . . 10.6 p90 -75.36 -4.15 37.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.798 1.239 . . . . 0.0 113.777 170.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.15 38.77 3.01 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 118.524 -1.154 . . . . 0.0 114.378 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LYS . . . . . 0.481 ' HE2' ' HB ' ' A' ' 175' ' ' THR . 43.2 tttt -124.84 170.8 10.7 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 118.995 1.397 . . . . 0.0 111.233 172.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -127.53 110.31 12.6 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.171 0.988 . . . . 0.0 110.351 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.4 163.42 26.41 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.471 0.708 . . . . 0.0 110.211 165.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -140.36 122.91 16.17 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -112.24 159.33 18.71 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 108.556 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 16.4 tt -132.47 149.4 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 155.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -93.14 129.66 39.05 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -104.7 109.83 63.52 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 126.85 2.06 . . . . 0.0 109.479 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.05 -23.16 12.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.53 2.82 . . . . 0.0 114.852 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.03 78.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.322 0.964 . . . . 0.0 110.31 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -82.96 19.59 1.36 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.725 2.01 . . . . 0.0 112.343 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 55.3 t30 54.19 56.67 6.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.229 2.211 . . . . 0.0 112.568 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 79.17 18.24 74.84 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.36 -1.245 . . . . 0.0 114.586 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.85 140.9 58.23 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.035 1.918 . . . . 0.0 111.342 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -74.77 152.86 38.99 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 161.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 56.1 t -141.96 98.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -79.39 104.65 10.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.628 -172.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 22.5 mt -71.68 -15.21 62.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.986 1.715 . . . . 0.0 111.969 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 123.78 -157.05 18.14 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 126.039 1.78 . . . . 0.0 111.023 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' THR . . . . . 0.481 ' HB ' ' HE2' ' A' ' 156' ' ' LYS . 1.2 p -132.88 149.99 52.2 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.685 1.994 . . . . 0.0 109.415 174.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 182' ' ' ALA . 52.2 m-85 -145.94 137.94 25.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.325 -163.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.38 -36.55 80.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.461 0.704 . . . . 0.0 112.179 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 39.4 p -114.26 152.99 30.46 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.316 1.046 . . . . 0.0 110.258 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -66.65 -35.78 80.98 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.782 0.833 . . . . 0.0 111.201 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.91 -21.59 62.35 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.631 1.973 . . . . 0.0 113.462 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.26 -33.34 15.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.377 0.99 . . . . 0.0 110.866 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . 0.447 ' HA ' ' CD2' ' A' ' 176' ' ' PHE . . . -60.27 -44.54 95.24 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.405 1.482 . . . . 0.0 110.557 165.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.01 65.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.272 1.429 . . . . 0.0 111.595 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.7 tt -72.14 -26.55 62.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.645 0.657 . . . . 0.0 111.55 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.42 -45.88 74.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.69 1.132 . . . . 0.0 110.388 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -56.91 -39.94 75.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.314 1.045 . . . . 0.0 111.691 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.54 -51.24 49.56 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.164 1.386 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -76.08 -34.31 59.55 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.434 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.19 79.11 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.14 1.336 . . . . 0.0 112.884 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.05 94.12 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 123.425 0.69 . . . . 0.0 110.656 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -34.97 77.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.301 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -73.05 -44.23 60.94 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' MET . . . . . . . . . . . . . 18.7 ptp -72.83 -28.14 62.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.245 1.384 . . . . 0.0 113.729 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -90.76 -25.21 20.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.484 1.114 . . . . 0.0 112.222 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.76 2.12 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 128.09 2.757 . . . . 0.0 113.675 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 8.3 t -171.33 178.85 3.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.555 2.742 . . . . 0.0 108.032 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 51.83 74.04 0.28 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.582 1.553 . . . . 0.0 111.205 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -129.98 156.87 43.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.508 1.123 . . . . 0.0 112.193 -173.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 3.8 tp -105.59 109.86 21.97 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 127.207 2.203 . . . . 0.0 106.128 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 48.2 mt -126.28 177.61 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.291 1.037 . . . . 0.0 110.757 -160.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.04 -38.68 13.43 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.157 0.983 . . . . 0.0 111.928 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -129.58 76.13 78.97 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.235 1.414 . . . . 0.0 109.673 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.05 104.57 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.891 2.394 . . . . 0.0 109.247 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 3.5 pp -73.32 3.75 5.48 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -82.69 -6.24 59.28 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.973 1.309 . . . . 0.0 113.428 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.256 1.429 0 CA-C-O 116.539 -1.696 . . . . 0.0 110.657 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C4'-C3' 108.686 3.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.459 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.408 -3.437 1 P-O3'-C3' 124.685 4.154 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.965 0 O4'-C4'-C3' 109.39 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.271 2 O4'-C4'-C3' 109.732 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 0 O3'-P-O5' 96.7 -3.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 0 C2'-C3'-O3' 121.352 3.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.52 2 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 1 O4'-C4'-C3' 109.704 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.469 0 O4'-C4'-C3' 108.953 3.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O3'-P-O5' 97.671 -3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 0 P-O3'-C3' 123.648 3.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 O5'-C5'-C4' 113.983 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 1 P-O3'-C3' 125.124 4.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C4'-C3' 110.002 4.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DG' . . . . . 0.457 H5'' ' NH2' ' A' ' 147' ' ' ARG . . . . . . . . 0 O4'--C4' 1.404 -3.79 0 O4'-C4'-C3' 109.47 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 0 C2'-C3'-O3' 119.769 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 1 P-O3'-C3' 124.78 4.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.777 0 C1'-O4'-C4' 104.659 -3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.686 0 O4'-C4'-C3' 109.25 3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.074 1 O4'-C4'-C3' 109.715 4.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 O4'-C4'-C3' 109.146 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.459 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.77 1 O3'-P-O5' 95.113 -4.677 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -104.6 171.38 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 109.52 163.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -149.65 162.9 39.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 111.311 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.457 ' NH2' H5'' ' C' ' 17' ' ' ' DG' . 12.6 mtp-105 -69.75 126.95 31.25 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 126.782 2.033 . . . . 0.0 109.504 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.61 -19.0 6.38 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 127.325 2.393 . . . . 0.0 115.276 -166.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.32 129.29 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-N 118.679 1.24 . . . . 0.0 112.044 -158.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -135.49 109.14 7.99 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 113.458 -1.701 . . . . 0.0 109.288 -167.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.71 126.3 27.06 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.047 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 137.26 23.1 Favored Pre-proline 0 N--CA 1.45 -0.468 0 C-N-CA 126.747 2.019 . . . . 0.0 107.688 167.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -65.03 -20.3 63.78 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.222 2.615 . . . . 0.0 116.883 -157.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' TRP . . . . . . . . . . . . . 10.6 p90 -75.36 -4.15 37.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.798 1.239 . . . . 0.0 113.777 170.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.15 38.77 3.01 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 118.524 -1.154 . . . . 0.0 114.378 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LYS . . . . . 0.468 ' HE2' ' HB ' ' A' ' 175' ' ' THR . 43.2 tttt -124.84 170.8 10.7 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 118.995 1.397 . . . . 0.0 111.233 172.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -127.53 110.31 12.6 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.171 0.988 . . . . 0.0 110.351 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.4 163.42 26.41 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.471 0.708 . . . . 0.0 110.211 165.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -140.36 122.91 16.17 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -112.24 159.33 18.71 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 108.556 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 16.4 tt -132.47 149.4 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 155.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -93.14 129.66 39.05 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -104.7 109.83 63.52 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 126.85 2.06 . . . . 0.0 109.479 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.05 -23.16 12.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.53 2.82 . . . . 0.0 114.852 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.03 78.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.322 0.964 . . . . 0.0 110.31 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -82.96 19.59 1.36 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.725 2.01 . . . . 0.0 112.343 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 55.3 t30 54.19 56.67 6.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.229 2.211 . . . . 0.0 112.568 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 79.17 18.24 74.84 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.36 -1.245 . . . . 0.0 114.586 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.85 140.9 58.23 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.035 1.918 . . . . 0.0 111.342 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -74.77 152.86 38.99 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 161.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 56.1 t -141.96 98.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -79.39 104.65 10.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.628 -172.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 22.5 mt -71.68 -15.21 62.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.986 1.715 . . . . 0.0 111.969 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 123.78 -157.05 18.14 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 126.039 1.78 . . . . 0.0 111.023 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' THR . . . . . 0.468 ' HB ' ' HE2' ' A' ' 156' ' ' LYS . 1.2 p -132.88 149.99 52.2 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.685 1.994 . . . . 0.0 109.415 174.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' PHE . . . . . 0.449 ' CD2' ' HA ' ' A' ' 182' ' ' ALA . 52.2 m-85 -145.94 137.94 25.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.325 -163.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.38 -36.55 80.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.461 0.704 . . . . 0.0 112.179 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 39.4 p -114.26 152.99 30.46 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.316 1.046 . . . . 0.0 110.258 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -66.65 -35.78 80.98 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.782 0.833 . . . . 0.0 111.201 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.91 -21.59 62.35 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.631 1.973 . . . . 0.0 113.462 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.26 -33.34 15.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.377 0.99 . . . . 0.0 110.866 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 176' ' ' PHE . . . -60.27 -44.54 95.24 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.405 1.482 . . . . 0.0 110.557 165.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.01 65.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.272 1.429 . . . . 0.0 111.595 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.7 tt -72.14 -26.55 62.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.645 0.657 . . . . 0.0 111.55 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.42 -45.88 74.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.69 1.132 . . . . 0.0 110.388 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -56.91 -39.94 75.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.314 1.045 . . . . 0.0 111.691 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.54 -51.24 49.56 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.164 1.386 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -76.08 -34.31 59.55 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.434 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.19 79.11 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.14 1.336 . . . . 0.0 112.884 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.05 94.12 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 123.425 0.69 . . . . 0.0 110.656 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -34.97 77.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.301 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -73.05 -44.23 60.94 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' MET . . . . . . . . . . . . . 18.7 ptp -72.83 -28.14 62.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.245 1.384 . . . . 0.0 113.729 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -90.76 -25.21 20.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.484 1.114 . . . . 0.0 112.222 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.76 2.12 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 128.09 2.757 . . . . 0.0 113.675 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 8.3 t -171.33 178.85 3.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.555 2.742 . . . . 0.0 108.032 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 51.83 74.04 0.28 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.582 1.553 . . . . 0.0 111.205 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -129.98 156.87 43.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.508 1.123 . . . . 0.0 112.193 -173.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 3.8 tp -105.59 109.86 21.97 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 127.207 2.203 . . . . 0.0 106.128 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 48.2 mt -126.28 177.61 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.291 1.037 . . . . 0.0 110.757 -160.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.04 -38.68 13.43 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.157 0.983 . . . . 0.0 111.928 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -129.58 76.13 78.97 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.235 1.414 . . . . 0.0 109.673 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.05 104.57 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.891 2.394 . . . . 0.0 109.247 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 3.5 pp -73.32 3.75 5.48 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -82.69 -6.24 59.28 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.973 1.309 . . . . 0.0 113.428 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.256 1.429 0 CA-C-O 116.539 -1.696 . . . . 0.0 110.657 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.72 0 O4'-C4'-C3' 108.686 3.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.459 ' C2 ' ' C2 ' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.408 -3.437 1 P-O3'-C3' 124.685 4.154 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.965 0 O4'-C4'-C3' 109.39 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.271 2 O4'-C4'-C3' 109.732 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.967 0 O3'-P-O5' 96.7 -3.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 0 C2'-C3'-O3' 121.352 3.982 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.52 2 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.065 1 O4'-C4'-C3' 109.704 4.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.469 0 O4'-C4'-C3' 108.953 3.353 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -2.955 0 O3'-P-O5' 97.671 -3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.878 0 P-O3'-C3' 123.648 3.29 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.279 0 O5'-C5'-C4' 113.983 2.702 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.631 1 P-O3'-C3' 125.124 4.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.731 1 O4'-C4'-C3' 110.002 4.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DG' . . . . . 0.457 H5'' ' NH2' ' A' ' 147' ' ' ARG . . . . . . . . 0 O4'--C4' 1.404 -3.79 0 O4'-C4'-C3' 109.47 3.87 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.535 0 C2'-C3'-O3' 119.769 3.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.569 1 P-O3'-C3' 124.78 4.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.404 -3.777 0 C1'-O4'-C4' 104.659 -3.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.686 0 O4'-C4'-C3' 109.25 3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.074 1 O4'-C4'-C3' 109.715 4.115 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.398 0 O4'-C4'-C3' 109.146 3.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.459 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.416 -2.77 1 O3'-P-O5' 95.113 -4.677 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -104.6 171.38 7.36 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 124.418 1.087 . . . . 0.0 109.52 163.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -149.65 162.9 39.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 111.311 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.457 ' NH2' H5'' ' C' ' 17' ' ' ' DG' . 12.6 mtp-105 -69.75 126.95 31.25 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 126.782 2.033 . . . . 0.0 109.504 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.61 -19.0 6.38 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 127.325 2.393 . . . . 0.0 115.276 -166.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 58.5 t -95.32 129.29 45.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-N 118.679 1.24 . . . . 0.0 112.044 -158.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -135.49 109.14 7.99 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 113.458 -1.701 . . . . 0.0 109.288 -167.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -58.71 126.3 27.06 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.047 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 137.26 23.1 Favored Pre-proline 0 N--CA 1.45 -0.468 0 C-N-CA 126.747 2.019 . . . . 0.0 107.688 167.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -65.03 -20.3 63.78 Favored 'Trans proline' 0 CA--C 1.547 1.161 0 C-N-CA 123.222 2.615 . . . . 0.0 116.883 -157.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' TRP . . . . . . . . . . . . . 10.6 p90 -75.36 -4.15 37.65 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.798 1.239 . . . . 0.0 113.777 170.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 102.15 38.77 3.01 Favored Glycine 0 C--N 1.344 0.974 0 CA-C-O 118.524 -1.154 . . . . 0.0 114.378 173.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LYS . . . . . 0.468 ' HE2' ' HB ' ' A' ' 175' ' ' THR . 43.2 tttt -124.84 170.8 10.7 Favored 'General case' 0 C--N 1.347 0.489 0 CA-C-N 118.995 1.397 . . . . 0.0 111.233 172.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -127.53 110.31 12.6 Favored 'General case' 0 CA--C 1.517 -0.318 0 C-N-CA 124.171 0.988 . . . . 0.0 110.351 -172.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -77.4 163.42 26.41 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 123.471 0.708 . . . . 0.0 110.211 165.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -140.36 122.91 16.17 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 171.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -112.24 159.33 18.71 Favored 'General case' 0 CA--C 1.515 -0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 108.556 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ILE . . . . . . . . . . . . . 16.4 tt -132.47 149.4 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 155.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -93.14 129.66 39.05 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 168.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -104.7 109.83 63.52 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 126.85 2.06 . . . . 0.0 109.479 -177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.05 -23.16 12.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.53 2.82 . . . . 0.0 114.852 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -67.2 -35.03 78.75 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.322 0.964 . . . . 0.0 110.31 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -82.96 19.59 1.36 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.725 2.01 . . . . 0.0 112.343 169.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ASN . . . . . . . . . . . . . 55.3 t30 54.19 56.67 6.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.229 2.211 . . . . 0.0 112.568 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . 79.17 18.24 74.84 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 118.36 -1.245 . . . . 0.0 114.586 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -61.85 140.9 58.23 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 120.035 1.918 . . . . 0.0 111.342 176.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -74.77 152.86 38.99 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 161.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . . . . . . . . . 56.1 t -141.96 98.77 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -79.39 104.65 10.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.628 -172.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 22.5 mt -71.68 -15.21 62.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.986 1.715 . . . . 0.0 111.969 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 123.78 -157.05 18.14 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 126.039 1.78 . . . . 0.0 111.023 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' THR . . . . . 0.468 ' HB ' ' HE2' ' A' ' 156' ' ' LYS . 1.2 p -132.88 149.99 52.2 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 126.685 1.994 . . . . 0.0 109.415 174.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' PHE . . . . . 0.449 ' CD2' ' HA ' ' A' ' 182' ' ' ALA . 52.2 m-85 -145.94 137.94 25.21 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.876 -1.511 . . . . 0.0 108.325 -163.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -61.38 -36.55 80.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.461 0.704 . . . . 0.0 112.179 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 39.4 p -114.26 152.99 30.46 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.316 1.046 . . . . 0.0 110.258 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ALA . . . . . . . . . . . . . . . -66.65 -35.78 80.98 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.782 0.833 . . . . 0.0 111.201 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -70.91 -21.59 62.35 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.631 1.973 . . . . 0.0 113.462 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.26 -33.34 15.4 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 119.377 0.99 . . . . 0.0 110.866 178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.449 ' HA ' ' CD2' ' A' ' 176' ' ' PHE . . . -60.27 -44.54 95.24 Favored 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.405 1.482 . . . . 0.0 110.557 165.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ALA . . . . . . . . . . . . . . . -72.82 -33.01 65.92 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.272 1.429 . . . . 0.0 111.595 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 6.7 tt -72.14 -26.55 62.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.645 0.657 . . . . 0.0 111.55 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.42 -45.88 74.81 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 119.69 1.132 . . . . 0.0 110.388 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -56.91 -39.94 75.38 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 124.314 1.045 . . . . 0.0 111.691 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -50.54 -51.24 49.56 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.164 1.386 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -76.08 -34.31 59.55 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 117.656 -1.164 . . . . 0.0 112.434 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -65.93 -46.19 79.11 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.14 1.336 . . . . 0.0 112.884 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.05 94.12 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 123.425 0.69 . . . . 0.0 110.656 171.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -34.97 77.13 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.301 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -73.05 -44.23 60.94 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-O 117.726 -1.13 . . . . 0.0 111.724 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' MET . . . . . . . . . . . . . 18.7 ptp -72.83 -28.14 62.37 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.245 1.384 . . . . 0.0 113.729 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -90.76 -25.21 20.09 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.484 1.114 . . . . 0.0 112.222 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 79.95 -35.76 2.12 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 128.09 2.757 . . . . 0.0 113.675 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 8.3 t -171.33 178.85 3.13 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 128.555 2.742 . . . . 0.0 108.032 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 51.83 74.04 0.28 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.582 1.553 . . . . 0.0 111.205 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -129.98 156.87 43.74 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.508 1.123 . . . . 0.0 112.193 -173.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' LEU . . . . . . . . . . . . . 3.8 tp -105.59 109.86 21.97 Favored 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 127.207 2.203 . . . . 0.0 106.128 179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 48.2 mt -126.28 177.61 6.32 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.291 1.037 . . . . 0.0 110.757 -160.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -90.04 -38.68 13.43 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.157 0.983 . . . . 0.0 111.928 175.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -129.58 76.13 78.97 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.235 1.414 . . . . 0.0 109.673 178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.05 104.57 0.4 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.891 2.394 . . . . 0.0 109.247 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LEU . . . . . . . . . . . . . 3.5 pp -73.32 3.75 5.48 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -82.69 -6.24 59.28 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.973 1.309 . . . . 0.0 113.428 173.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.256 1.429 0 CA-C-O 116.539 -1.696 . . . . 0.0 110.657 179.929 . . . . . . . . 0 0 . 1 stop_ save_