data_1b01_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 1b01 _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' E' E ' 101' ' ' ' DC' . . . . . 0.425 ' C4 ' ' N4 ' ' E' ' 102' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.418 -0.978 1 C4'-C3'-O3' 123.448 5.976 . . . . 68.09 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' ' DC' . . . . . 0.425 ' N4 ' ' C4 ' ' E' ' 101' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.202 1 N19-C1'-C2' 106.784 -4.635 . . . . 69.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.513 0 C2'-C3'-O3' 112.858 0.836 . . . . 55.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' ' DG' . . . . . 0.445 ' OP1' ' NZ ' ' B' ' 28' ' ' LYS . . . . . . . . 0 O5'--C5' 1.413 -1.696 0 N19-C1'-C2' 118.686 2.804 . . . . 50.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.414 -1.641 0 C5'-C4'-O4' 106.894 -1.566 . . . . 56.14 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 106' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.168 0 N19-C1'-C2' 116.375 1.36 . . . . 61.29 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 107' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.417 -1.461 0 C5'-C4'-C3' 111.344 -2.237 . . . . 65.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.459 1.137 0 O4'-C1'-N19 110.276 3.094 . . . . 68.2 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 109' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.251 0 C2'-C3'-O3' 114.685 1.513 . . . . 65.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 110' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 C2'-C3'-O3' 117.34 2.496 . . . . 63.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 111' ' ' ' DC' . . . . . 0.485 ' N3 ' ' N1 ' ' F' ' 110' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.839 0 O4'-C1'-C2' 109.884 3.44 . . . . 62.85 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 112' ' ' ' DA' . . . . . 0.464 ' C2 ' ' N2 ' ' F' ' 110' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.52 1.144 0 O4'-C1'-C2' 109.984 3.531 . . . . 45.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 113' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.403 -1.293 0 N19-C1'-C2' 120.533 3.958 . . . . 43.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 114' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.402 -1.397 0 O4'-C1'-C2' 110.171 3.701 . . . . 43.7 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 115' ' ' ' DG' . . . . . 0.531 ' O6 ' ' NH2' ' A' ' 4' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 109.777 3.342 . . . . 49.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 O4'-C1'-C2' 110.017 3.561 . . . . 55.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 117' ' ' ' DA' . . . . . 0.433 " C2'" ' OP2' ' E' ' 118' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.532 1.407 0 O4'-C1'-C2' 109.936 3.488 . . . . 67.65 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 118' ' ' ' DA' . . . . . 0.445 " C2'" " C5'" ' E' ' 119' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.531 1.341 0 O4'-C1'-C2' 109.429 3.026 . . . . 70.24 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 119' ' ' ' DT' . . . . . 0.445 " C5'" " C2'" ' E' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.502 -1.145 0 O4'-C1'-N19 110.632 3.541 . . . . 70.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.166 1 N19-C1'-C2' 107.607 -4.12 . . . . 49.12 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 109.848 3.407 . . . . 43.78 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 103' ' ' ' DT' . . . . . 0.65 ' C7 ' ' NH1' ' B' ' 4' ' ' ARG . . . . . . . . 0 C3'--C2' 1.532 1.433 1 N19-C1'-C2' 120.708 4.068 . . . . 49.59 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 104' ' ' ' DT' . . . . . 0.467 " C5'" " C2'" ' F' ' 103' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.698 0 O4'-C1'-C2' 109.84 3.4 . . . . 57.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 105' ' ' ' DG' . . . . . 0.414 ' C8 ' " C2'" ' F' ' 104' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.408 -0.931 0 O4'-C1'-C2' 110.229 3.754 . . . . 62.56 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 106' ' ' ' DC' . . . . . 0.405 ' N4 ' ' NH2' ' A' ' 4' ' ' ARG . . . . . . . . 0 O4'--C1' 1.403 -1.303 0 O4'-C1'-C2' 109.796 3.36 . . . . 64.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 107' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.645 1 O4'-C1'-N19 111.767 4.958 . . . . 67.59 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.405 -1.131 0 O4'-C1'-C2' 109.559 3.145 . . . . 64.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.532 1.403 0 O4'-C1'-C2' 109.693 3.266 . . . . 61.55 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 110' ' ' ' DG' . . . . . 0.485 ' N1 ' ' N3 ' ' E' ' 111' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.401 -2.409 1 C5'-C4'-C3' 104.431 -6.846 . . . . 63.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.861 0 O5'-C5'-C4' 114.634 3.167 . . . . 48.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.254 0 N19-C1'-C2' 119.015 3.009 . . . . 43.82 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 113' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 N19-C1'-C2' 109.272 -3.08 . . . . 45.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 114' ' ' ' DG' . . . . . 0.425 ' O6 ' ' NH2' ' A' ' 4' ' ' ARG . . . . . . . . 0 O5'--C5' 1.413 -1.673 0 P-O5'-C5' 119.322 -0.986 . . . . 49.68 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 115' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.416 -1.486 0 C2'-C3'-O3' 114.899 1.592 . . . . 55.29 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 116' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.703 0 C2'-C3'-O3' 116.834 2.309 . . . . 67.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 117' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O3'-P-O5' 99.904 -2.156 . . . . 69.67 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 118' ' ' ' DG' . . . . . 0.641 " C2'" " C5'" ' F' ' 119' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 C5'-C4'-C3' 112.002 -1.799 . . . . 70.62 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 119' ' ' ' DG' . . . . . 0.641 " C5'" " C2'" ' F' ' 118' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.535 1.021 0 O4'-C1'-N19 104.944 -3.57 . . . . 73.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' O ' ' N ' ' B' ' 11' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.242 -0.281 . . . . 97.07 110.242 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -103.6 135.39 45.28 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 122.535 0.334 . . . . 67.26 111.308 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.25 147.03 50.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.745 -0.661 . . . . 58.63 111.492 179.997 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' NH2' ' O6 ' ' E' ' 115' ' ' ' DG' . 19.7 mtp-105 -94.61 160.91 14.42 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.753 -0.779 . . . . 54.98 111.533 -179.69 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 143.71 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.651 -0.249 . . . . 47.86 110.391 178.525 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.9 m -111.28 123.84 51.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 119.544 -0.862 . . . . 43.31 111.505 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -111.25 164.78 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.478 -1.237 . . . . 41.9 110.886 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' B' ' 29' ' ' SER . 43.4 m -121.45 129.42 52.96 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 105.409 -2.071 . . . . 49.79 105.409 179.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.69 155.13 50.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.575 1.324 . . . . 47.4 114.575 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -58.0 135.79 57.01 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.112 -0.949 . . . . 55.07 110.315 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 -22.38 4.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 86.28 110.72 179.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -92.5 -27.6 17.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.314 0.487 . . . . 66.91 112.314 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.78 -34.99 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 108.089 -1.078 . . . . 60.5 108.089 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.03 -40.13 71.91 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.749 -0.66 . . . . 59.73 109.264 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.19 -30.17 71.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.131 -1.063 . . . . 83.84 108.131 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -77.69 -41.66 37.24 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 119.591 -0.843 . . . . 66.27 109.541 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.4 tp -48.59 -55.18 11.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 104.929 -2.249 . . . . 58.98 104.929 178.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.88 -66.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.263 -0.881 . . . . 79.93 113.324 178.907 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.66 -56.08 11.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.716 -0.675 . . . . 63.89 112.134 -179.647 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.5 mtm -52.14 -55.2 22.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.17 1.174 . . . . 64.9 114.17 -178.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.2 88.04 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.787 -1.19 . . . . 65.38 107.787 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.59 -55.86 19.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.336 0.865 . . . . 89.38 113.336 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.64 -24.6 67.07 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 119.454 -0.898 . . . . 86.26 112.684 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.9 mtp -93.79 1.29 56.51 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.47 -0.892 . . . . 62.55 109.358 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.54 40.62 70.53 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.289 -0.725 . . . . 52.19 111.289 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -114.26 163.33 15.4 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.171 0.588 . . . . 48.28 111.352 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 p -87.32 162.88 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 104.456 -2.424 . . . . 46.28 104.456 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.28 -42.53 99.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.795 -1.557 . . . . 48.41 106.795 179.621 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -56.37 -37.12 69.65 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.945 -1.132 . . . . 47.98 107.945 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -44.9 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.398 -0.521 . . . . 45.34 111.895 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.56 -48.74 80.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.235 -1.024 . . . . 51.21 108.235 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -55.12 -53.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.563 -1.273 . . . . 52.35 107.563 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -40.2 60.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.713 0.805 . . . . 50.6 111.752 179.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.89 -54.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 107.283 -1.377 . . . . 48.79 107.283 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.93 77.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.029 0.751 . . . . 53.35 113.029 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.09 -55.81 29.35 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 107.816 -1.179 . . . . 57.62 107.816 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.6 -59.06 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.717 -0.845 . . . . 82.74 108.717 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -39.49 -71.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.894 -1.15 . . . . 73.96 107.894 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -41.73 -53.68 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.258 0.836 . . . . 74.41 113.258 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -44.65 -51.08 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.924 -1.139 . . . . 83.53 107.924 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -63.67 1.08 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.331 -0.85 . . . . 93.22 112.366 -179.632 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.01 -7.99 0.56 Allowed Glycine 0 C--N 1.333 0.368 0 N-CA-C 115.412 0.925 . . . . 91.45 115.412 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.913 -1.041 . . . . 99.92 111.066 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.48 0.181 . . . . 99.11 110.908 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 141.19 58.86 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.141 0.576 . . . . 89.92 111.336 179.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -129.55 157.41 42.13 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.012 0.434 . . . . 80.2 111.963 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ARG . . . . . 0.65 ' NH1' ' C7 ' ' F' ' 103' ' ' ' DT' . 5.8 mtm180 -100.2 152.39 20.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.782 1.401 . . . . 62.98 114.782 -178.858 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 tp -146.85 122.83 10.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.817 -0.629 . . . . 49.0 110.95 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 7.4 m -92.82 120.17 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.163 -1.421 . . . . 42.7 107.163 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 pt -123.48 171.21 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-O 121.438 0.637 . . . . 40.33 111.336 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.87 129.91 50.28 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 106.992 -1.484 . . . . 47.94 106.992 -179.792 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mt -129.43 146.92 51.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 112.614 0.598 . . . . 45.42 112.614 -177.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' SER . . . . . 0.44 ' O ' ' N ' ' B' ' 13' ' ' VAL . 1.2 m -69.53 125.61 27.23 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.163 -0.926 . . . . 52.65 109.479 179.241 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' MET . 11.6 tt0 -32.14 -51.32 0.24 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.96 1.096 . . . . 81.82 113.96 -179.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -63.39 -37.68 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 59.96 111.584 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' SER . 77.3 t -75.4 -30.95 23.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.479 -0.934 . . . . 61.26 108.479 -179.805 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 tp -71.93 -46.27 58.16 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.834 -0.802 . . . . 59.88 108.834 179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.61 -43.09 71.91 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.584 -1.189 . . . . 85.54 108.695 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -77.55 -16.0 58.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.232 -0.987 . . . . 67.79 110.889 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 35.7 tp -70.95 -44.31 66.35 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 105.691 -1.966 . . . . 61.03 105.691 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -54.97 39.45 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.644 -1.162 . . . . 76.17 110.112 178.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -61.8 1.67 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.104 -0.498 . . . . 66.52 110.571 -179.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' MET . . . . . . . . . . . . . 22.8 mtm -54.52 -38.88 67.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.631 1.345 . . . . 72.14 114.631 179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.81 -48.94 70.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.028 -0.533 . . . . 65.36 111.487 -178.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -51.31 -65.81 0.49 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.869 -1.53 . . . . 93.01 106.869 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.65 -13.12 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 116.637 2.088 . . . . 84.32 116.637 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 3.53 17.61 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.599 -1.26 . . . . 78.98 107.599 178.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.02 41.68 78.29 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.207 -0.906 . . . . 59.27 112.302 -179.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.66 164.71 24.42 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.186 0.517 . . . . 53.89 109.966 178.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.2 p -84.08 163.86 19.59 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.965 -1.865 . . . . 49.76 105.965 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . 0.445 ' NZ ' ' OP1' ' E' ' 104' ' ' ' DG' . 0.2 OUTLIER -56.23 -50.12 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.155 -0.618 . . . . 49.4 109.806 179.596 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -50.18 -43.58 52.41 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.382 -0.599 . . . . 50.48 109.382 178.756 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.97 -49.73 66.8 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.305 -0.861 . . . . 48.25 111.811 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -60.41 3.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.421 -1.326 . . . . 60.01 107.421 178.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.8 mt -47.31 -43.3 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.671 -0.695 . . . . 48.89 111.322 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -31.66 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.332 0.493 . . . . 55.62 112.332 -179.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.79 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.813 0.815 . . . . 52.06 109.315 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.32 36.91 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.292 -1.777 . . . . 55.97 108.548 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.22 -48.13 82.76 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.564 0.54 . . . . 62.45 111.809 -179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.47 -26.16 64.44 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.027 -0.669 . . . . 80.07 109.939 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -68.03 -56.9 7.22 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.773 -0.648 . . . . 77.38 111.033 179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.56 -48.5 38.73 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.582 -0.281 . . . . 74.41 110.245 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -33.73 47.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.367 -0.605 . . . . 83.13 109.367 -179.963 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' B' ' 43' ' ' GLN . 0.0 OUTLIER -73.53 -60.73 2.11 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.974 -0.557 . . . . 93.79 109.838 179.841 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' B' ' 43' ' ' GLN . . . -45.6 -13.41 0.05 OUTLIER Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.924 -0.87 . . . . 92.14 110.924 179.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLN . . . . . 0.548 ' N ' ' O ' ' B' ' 41' ' ' LYS . 7.5 mm-40 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.825 1.25 . . . . 97.49 111.214 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' ' DC' . . . . . 0.842 H2'' H5'' ' E' ' 102' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.418 -0.978 1 C4'-C3'-O3' 123.448 5.976 . . . . 68.09 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 102' ' ' ' DC' . . . . . 0.842 H5'' H2'' ' E' ' 101' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.202 1 N19-C1'-C2' 106.784 -4.635 . . . . 69.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 103' ' ' ' DC' . . . . . 0.42 ' C6 ' H2'' ' E' ' 102' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.416 -1.513 0 C2'-C3'-O3' 112.858 0.836 . . . . 55.65 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 104' ' ' ' DG' . . . . . 0.711 H2'' " H5'" ' E' ' 105' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.696 0 N19-C1'-C2' 118.686 2.804 . . . . 50.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 105' ' ' ' DT' . . . . . 0.711 " H5'" H2'' ' E' ' 104' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.414 -1.641 0 C5'-C4'-O4' 106.894 -1.566 . . . . 56.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 106' ' ' ' DG' . . . . . 0.568 ' C8 ' H2'' ' E' ' 105' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.168 0 N19-C1'-C2' 116.375 1.36 . . . . 61.29 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 107' ' ' ' DC' . . . . . 0.532 " H1'" " H5'" ' E' ' 108' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.417 -1.461 0 C5'-C4'-C3' 111.344 -2.237 . . . . 65.48 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 108' ' ' ' DA' . . . . . 0.532 " H5'" " H1'" ' E' ' 107' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.459 1.137 0 O4'-C1'-N19 110.276 3.094 . . . . 68.2 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 109' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.251 0 C2'-C3'-O3' 114.685 1.513 . . . . 65.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 110' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 C2'-C3'-O3' 117.34 2.496 . . . . 63.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 111' ' ' ' DC' . . . . . 0.461 " C2'" ' C8 ' ' E' ' 112' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.526 0.839 0 O4'-C1'-C2' 109.884 3.44 . . . . 62.85 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 112' ' ' ' DA' . . . . . 0.466 H2'' " O5'" ' E' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.52 1.144 0 O4'-C1'-C2' 109.984 3.531 . . . . 45.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 113' ' ' ' DA' . . . . . 1.069 H2'' H5'' ' E' ' 114' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.403 -1.293 0 N19-C1'-C2' 120.533 3.958 . . . . 43.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 114' ' ' ' DT' . . . . . 1.069 H5'' H2'' ' E' ' 113' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.402 -1.397 0 O4'-C1'-C2' 110.171 3.701 . . . . 43.7 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 115' ' ' ' DG' . . . . . 0.531 ' O6 ' ' NH2' ' A' ' 4' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 109.777 3.342 . . . . 49.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 116' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' E' ' 117' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 O4'-C1'-C2' 110.017 3.561 . . . . 55.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 117' ' ' ' DA' . . . . . 0.665 H2'' ' OP2' ' E' ' 118' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.532 1.407 0 O4'-C1'-C2' 109.936 3.488 . . . . 67.65 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 118' ' ' ' DA' . . . . . 1.136 H2'' " H5'" ' E' ' 119' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.531 1.341 0 O4'-C1'-C2' 109.429 3.026 . . . . 70.24 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 119' ' ' ' DT' . . . . . 1.136 " H5'" H2'' ' E' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.502 -1.145 0 O4'-C1'-N19 110.632 3.541 . . . . 70.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 101' ' ' ' DG' . . . . . 0.565 H2'' " O5'" ' F' ' 102' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.166 1 N19-C1'-C2' 107.607 -4.12 . . . . 49.12 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 102' ' ' ' DA' . . . . . 0.565 " O5'" H2'' ' F' ' 101' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 109.848 3.407 . . . . 43.78 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 103' ' ' ' DT' . . . . . 1.062 H2'' " H5'" ' F' ' 104' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.433 1 N19-C1'-C2' 120.708 4.068 . . . . 49.59 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 104' ' ' ' DT' . . . . . 1.062 " H5'" H2'' ' F' ' 103' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.698 0 O4'-C1'-C2' 109.84 3.4 . . . . 57.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 105' ' ' ' DG' . . . . . 0.768 ' C8 ' H2'' ' F' ' 104' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.408 -0.931 0 O4'-C1'-C2' 110.229 3.754 . . . . 62.56 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 106' ' ' ' DC' . . . . . 0.725 H2'' " O5'" ' F' ' 107' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.403 -1.303 0 O4'-C1'-C2' 109.796 3.36 . . . . 64.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 107' ' ' ' DA' . . . . . 0.725 " O5'" H2'' ' F' ' 106' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.645 1 O4'-C1'-N19 111.767 4.958 . . . . 67.59 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.405 -1.131 0 O4'-C1'-C2' 109.559 3.145 . . . . 64.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 109' ' ' ' DT' . . . . . 0.419 H2'' ' C8 ' ' F' ' 110' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.532 1.403 0 O4'-C1'-C2' 109.693 3.266 . . . . 61.55 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 110' ' ' ' DG' . . . . . 0.464 ' N2 ' ' C2 ' ' E' ' 112' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.401 -2.409 1 C5'-C4'-C3' 104.431 -6.846 . . . . 63.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.861 0 O5'-C5'-C4' 114.634 3.167 . . . . 48.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 112' ' ' ' DG' . . . . . 0.717 H2'' H5'' ' F' ' 113' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.42 -1.254 0 N19-C1'-C2' 119.015 3.009 . . . . 43.82 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 113' ' ' ' DT' . . . . . 0.717 H5'' H2'' ' F' ' 112' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 N19-C1'-C2' 109.272 -3.08 . . . . 45.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 114' ' ' ' DG' . . . . . 0.573 " H1'" " H5'" ' F' ' 115' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.413 -1.673 0 P-O5'-C5' 119.322 -0.986 . . . . 49.68 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 115' ' ' ' DC' . . . . . 0.573 " H5'" " H1'" ' F' ' 114' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.416 -1.486 0 C2'-C3'-O3' 114.899 1.592 . . . . 55.29 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 116' ' ' ' DA' . . . . . 0.616 H2'' ' OP2' ' F' ' 117' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.413 -1.703 0 C2'-C3'-O3' 116.834 2.309 . . . . 67.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 117' ' ' ' DC' . . . . . 0.824 H2'' " H5'" ' F' ' 118' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O3'-P-O5' 99.904 -2.156 . . . . 69.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 118' ' ' ' DG' . . . . . 1.105 " C2'" H5'' ' F' ' 119' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 C5'-C4'-C3' 112.002 -1.799 . . . . 70.62 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 119' ' ' ' DG' . . . . . 1.105 H5'' " C2'" ' F' ' 118' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.535 1.021 0 O4'-C1'-N19 104.944 -3.57 . . . . 73.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.242 -0.281 . . . . 97.07 110.242 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -103.6 135.39 45.28 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 122.535 0.334 . . . . 67.26 111.308 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.25 147.03 50.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.745 -0.661 . . . . 58.63 111.492 179.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' NH2' ' O6 ' ' E' ' 115' ' ' ' DG' . 19.7 mtp-105 -94.61 160.91 14.42 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.753 -0.779 . . . . 54.98 111.533 -179.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 143.71 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.651 -0.249 . . . . 47.86 110.391 178.525 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . 0.57 ' HB ' ' C7 ' ' F' ' 103' ' ' ' DT' . 85.9 m -111.28 123.84 51.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 119.544 -0.862 . . . . 43.31 111.505 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -111.25 164.78 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.478 -1.237 . . . . 41.9 110.886 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 m -121.45 129.42 52.96 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 105.409 -2.071 . . . . 49.79 105.409 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.69 155.13 50.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.575 1.324 . . . . 47.4 114.575 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -58.0 135.79 57.01 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.112 -0.949 . . . . 55.07 110.315 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' B' ' 1' ' ' MET . 0.1 OUTLIER -52.46 -22.38 4.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 86.28 110.72 179.378 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -92.5 -27.6 17.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.314 0.487 . . . . 66.91 112.314 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.78 -34.99 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 108.089 -1.078 . . . . 60.5 108.089 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.03 -40.13 71.91 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.749 -0.66 . . . . 59.73 109.264 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.19 -30.17 71.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.131 -1.063 . . . . 83.84 108.131 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -77.69 -41.66 37.24 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 119.591 -0.843 . . . . 66.27 109.541 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD13 HD11 ' B' ' 36' ' ' LEU . 33.4 tp -48.59 -55.18 11.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 104.929 -2.249 . . . . 58.98 104.929 178.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE1' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -38.88 -66.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.263 -0.881 . . . . 79.93 113.324 178.907 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HD3' ' OE2' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -49.66 -56.08 11.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.716 -0.675 . . . . 63.89 112.134 -179.647 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.5 mtm -52.14 -55.2 22.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.17 1.174 . . . . 64.9 114.17 -178.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.2 88.04 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.787 -1.19 . . . . 65.38 107.787 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.59 -55.86 19.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.336 0.865 . . . . 89.38 113.336 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' OE2' ' HD3' ' A' ' 19' ' ' LYS . 11.6 mt-10 -65.64 -24.6 67.07 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 119.454 -0.898 . . . . 86.26 112.684 -179.054 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.9 mtp -93.79 1.29 56.51 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.47 -0.892 . . . . 62.55 109.358 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.54 40.62 70.53 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.289 -0.725 . . . . 52.19 111.289 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -114.26 163.33 15.4 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.171 0.588 . . . . 48.28 111.352 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 p -87.32 162.88 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 104.456 -2.424 . . . . 46.28 104.456 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HE3' ' OE1' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -62.28 -42.53 99.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.795 -1.557 . . . . 48.41 106.795 179.621 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -56.37 -37.12 69.65 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.945 -1.132 . . . . 47.98 107.945 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -44.9 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.398 -0.521 . . . . 45.34 111.895 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.56 -48.74 80.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.235 -1.024 . . . . 51.21 108.235 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -55.12 -53.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.563 -1.273 . . . . 52.35 107.563 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -40.2 60.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.713 0.805 . . . . 50.6 111.752 179.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.89 -54.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 107.283 -1.377 . . . . 48.79 107.283 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.93 77.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.029 0.751 . . . . 53.35 113.029 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.728 HD11 HD13 ' B' ' 17' ' ' LEU . 5.8 mt -60.09 -55.81 29.35 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 107.816 -1.179 . . . . 57.62 107.816 179.07 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.6 -59.06 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.717 -0.845 . . . . 82.74 108.717 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 27.1 t-20 -39.49 -71.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.894 -1.15 . . . . 73.96 107.894 178.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -41.73 -53.68 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.258 0.836 . . . . 74.41 113.258 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -44.65 -51.08 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.924 -1.139 . . . . 83.53 107.924 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -54.09 -63.67 1.08 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.331 -0.85 . . . . 93.22 112.366 -179.632 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.01 -7.99 0.56 Allowed Glycine 0 C--N 1.333 0.368 0 N-CA-C 115.412 0.925 . . . . 91.45 115.412 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.913 -1.041 . . . . 99.92 111.066 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . 0.556 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.3 tpt . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.48 0.181 . . . . 99.11 110.908 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 141.19 58.86 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.141 0.576 . . . . 89.92 111.336 179.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -129.55 157.41 42.13 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.012 0.434 . . . . 80.2 111.963 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ARG . . . . . 0.738 HH12 ' C7 ' ' F' ' 103' ' ' ' DT' . 5.8 mtm180 -100.2 152.39 20.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.782 1.401 . . . . 62.98 114.782 -178.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 tp -146.85 122.83 10.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.817 -0.629 . . . . 49.0 110.95 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' THR . . . . . 0.404 ' O ' " H2'" ' F' ' 113' ' ' ' DT' . 7.4 m -92.82 120.17 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.163 -1.421 . . . . 42.7 107.163 178.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 pt -123.48 171.21 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-O 121.438 0.637 . . . . 40.33 111.336 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.87 129.91 50.28 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 106.992 -1.484 . . . . 47.94 106.992 -179.792 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mt -129.43 146.92 51.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 112.614 0.598 . . . . 45.42 112.614 -177.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' SER . . . . . 0.44 ' O ' ' N ' ' B' ' 13' ' ' VAL . 1.2 m -69.53 125.61 27.23 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.163 -0.926 . . . . 52.65 109.479 179.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -32.14 -51.32 0.24 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.96 1.096 . . . . 81.82 113.96 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -63.39 -37.68 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 59.96 111.584 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' SER . 77.3 t -75.4 -30.95 23.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.479 -0.934 . . . . 61.26 108.479 -179.805 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 32.1 tp -71.93 -46.27 58.16 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.834 -0.802 . . . . 59.88 108.834 179.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.61 -43.09 71.91 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.584 -1.189 . . . . 85.54 108.695 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -77.55 -16.0 58.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.232 -0.987 . . . . 67.79 110.889 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . 0.728 HD13 HD11 ' A' ' 36' ' ' LEU . 35.7 tp -70.95 -44.31 66.35 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 105.691 -1.966 . . . . 61.03 105.691 178.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -54.97 39.45 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.644 -1.162 . . . . 76.17 110.112 178.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -61.8 1.67 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.104 -0.498 . . . . 66.52 110.571 -179.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' MET . . . . . 0.685 ' HB3' ' HE2' ' B' ' 31' ' ' MET . 22.8 mtm -54.52 -38.88 67.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.631 1.345 . . . . 72.14 114.631 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . 0.555 ' HA ' ' HG2' ' B' ' 31' ' ' MET . . . -65.81 -48.94 70.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.028 -0.533 . . . . 65.36 111.487 -178.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -51.31 -65.81 0.49 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.869 -1.53 . . . . 93.01 106.869 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.65 -13.12 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 116.637 2.088 . . . . 84.32 116.637 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 3.53 17.61 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.599 -1.26 . . . . 78.98 107.599 178.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.02 41.68 78.29 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.207 -0.906 . . . . 59.27 112.302 -179.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.66 164.71 24.42 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.186 0.517 . . . . 53.89 109.966 178.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.2 p -84.08 163.86 19.59 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.965 -1.865 . . . . 49.76 105.965 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -50.12 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.155 -0.618 . . . . 49.4 109.806 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.18 -43.58 52.41 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.382 -0.599 . . . . 50.48 109.382 178.756 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -65.97 -49.73 66.8 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.305 -0.861 . . . . 48.25 111.811 -178.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' MET . . . . . 0.685 ' HE2' ' HB3' ' B' ' 20' ' ' MET . 0.0 OUTLIER -55.91 -60.41 3.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.421 -1.326 . . . . 60.01 107.421 178.777 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.8 mt -47.31 -43.3 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.671 -0.695 . . . . 48.89 111.322 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -31.66 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.332 0.493 . . . . 55.62 112.332 -179.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 21.4 t -70.79 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.813 0.815 . . . . 52.06 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.32 36.91 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.292 -1.777 . . . . 55.97 108.548 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . 0.483 HD11 HD13 ' A' ' 17' ' ' LEU . 8.5 mt -59.22 -48.13 82.76 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.564 0.54 . . . . 62.45 111.809 -179.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.47 -26.16 64.44 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.027 -0.669 . . . . 80.07 109.939 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -68.03 -56.9 7.22 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.773 -0.648 . . . . 77.38 111.033 179.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.56 -48.5 38.73 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.582 -0.281 . . . . 74.41 110.245 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -33.73 47.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.367 -0.605 . . . . 83.13 109.367 -179.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LYS . . . . . 0.713 ' HE3' ' HA ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -73.53 -60.73 2.11 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.974 -0.557 . . . . 93.79 109.838 179.841 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLY . . . . . 0.732 ' O ' ' HB2' ' B' ' 43' ' ' GLN . . . -45.6 -13.41 0.05 OUTLIER Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.924 -0.87 . . . . 92.14 110.924 179.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLN . . . . . 0.732 ' HB2' ' O ' ' B' ' 42' ' ' GLY . 7.5 mm-40 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.825 1.25 . . . . 97.49 111.214 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' ' DC' . . . . . 0.842 H2'' H5'' ' E' ' 102' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.418 -0.978 1 C4'-C3'-O3' 123.448 5.976 . . . . 68.09 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' ' DC' . . . . . 0.842 H5'' H2'' ' E' ' 101' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.202 1 N19-C1'-C2' 106.784 -4.635 . . . . 69.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' ' DC' . . . . . 0.42 ' C6 ' H2'' ' E' ' 102' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.416 -1.513 0 C2'-C3'-O3' 112.858 0.836 . . . . 55.65 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' ' DG' . . . . . 0.711 H2'' " H5'" ' E' ' 105' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.696 0 N19-C1'-C2' 118.686 2.804 . . . . 50.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' ' DT' . . . . . 0.711 " H5'" H2'' ' E' ' 104' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.414 -1.641 0 C5'-C4'-O4' 106.894 -1.566 . . . . 56.14 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 106' ' ' ' DG' . . . . . 0.568 ' C8 ' H2'' ' E' ' 105' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.168 0 N19-C1'-C2' 116.375 1.36 . . . . 61.29 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 107' ' ' ' DC' . . . . . 0.532 " H1'" " H5'" ' E' ' 108' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.417 -1.461 0 C5'-C4'-C3' 111.344 -2.237 . . . . 65.48 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 108' ' ' ' DA' . . . . . 0.532 " H5'" " H1'" ' E' ' 107' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.459 1.137 0 O4'-C1'-N19 110.276 3.094 . . . . 68.2 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 109' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.251 0 C2'-C3'-O3' 114.685 1.513 . . . . 65.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 110' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.051 0 C2'-C3'-O3' 117.34 2.496 . . . . 63.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 111' ' ' ' DC' . . . . . 0.461 " C2'" ' C8 ' ' E' ' 112' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.526 0.839 0 O4'-C1'-C2' 109.884 3.44 . . . . 62.85 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 112' ' ' ' DA' . . . . . 0.466 H2'' " O5'" ' E' ' 113' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.52 1.144 0 O4'-C1'-C2' 109.984 3.531 . . . . 45.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 113' ' ' ' DA' . . . . . 1.069 H2'' H5'' ' E' ' 114' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.403 -1.293 0 N19-C1'-C2' 120.533 3.958 . . . . 43.52 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 114' ' ' ' DT' . . . . . 1.069 H5'' H2'' ' E' ' 113' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.402 -1.397 0 O4'-C1'-C2' 110.171 3.701 . . . . 43.7 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 115' ' ' ' DG' . . . . . 0.531 ' O6 ' ' NH2' ' A' ' 4' ' ' ARG . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 109.777 3.342 . . . . 49.96 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 116' ' ' ' DC' . . . . . 0.465 H2'' " O5'" ' E' ' 117' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 O4'-C1'-C2' 110.017 3.561 . . . . 55.57 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 117' ' ' ' DA' . . . . . 0.665 H2'' ' OP2' ' E' ' 118' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.532 1.407 0 O4'-C1'-C2' 109.936 3.488 . . . . 67.65 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 118' ' ' ' DA' . . . . . 1.136 H2'' " H5'" ' E' ' 119' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.531 1.341 0 O4'-C1'-C2' 109.429 3.026 . . . . 70.24 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 119' ' ' ' DT' . . . . . 1.136 " H5'" H2'' ' E' ' 118' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.502 -1.145 0 O4'-C1'-N19 110.632 3.541 . . . . 70.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' ' DG' . . . . . 0.565 H2'' " O5'" ' F' ' 102' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.166 1 N19-C1'-C2' 107.607 -4.12 . . . . 49.12 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' ' DA' . . . . . 0.565 " O5'" H2'' ' F' ' 101' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-C2' 109.848 3.407 . . . . 43.78 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 103' ' ' ' DT' . . . . . 1.062 H2'' " H5'" ' F' ' 104' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.532 1.433 1 N19-C1'-C2' 120.708 4.068 . . . . 49.59 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 104' ' ' ' DT' . . . . . 1.062 " H5'" H2'' ' F' ' 103' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.413 -1.698 0 O4'-C1'-C2' 109.84 3.4 . . . . 57.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 105' ' ' ' DG' . . . . . 0.768 ' C8 ' H2'' ' F' ' 104' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.408 -0.931 0 O4'-C1'-C2' 110.229 3.754 . . . . 62.56 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 106' ' ' ' DC' . . . . . 0.725 H2'' " O5'" ' F' ' 107' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.403 -1.303 0 O4'-C1'-C2' 109.796 3.36 . . . . 64.97 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 107' ' ' ' DA' . . . . . 0.725 " O5'" H2'' ' F' ' 106' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.524 1.645 1 O4'-C1'-N19 111.767 4.958 . . . . 67.59 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.405 -1.131 0 O4'-C1'-C2' 109.559 3.145 . . . . 64.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 109' ' ' ' DT' . . . . . 0.419 H2'' ' C8 ' ' F' ' 110' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.532 1.403 0 O4'-C1'-C2' 109.693 3.266 . . . . 61.55 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 110' ' ' ' DG' . . . . . 0.464 ' N2 ' ' C2 ' ' E' ' 112' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.401 -2.409 1 C5'-C4'-C3' 104.431 -6.846 . . . . 63.57 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 111' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.42 -0.861 0 O5'-C5'-C4' 114.634 3.167 . . . . 48.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 112' ' ' ' DG' . . . . . 0.717 H2'' H5'' ' F' ' 113' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.42 -1.254 0 N19-C1'-C2' 119.015 3.009 . . . . 43.82 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 113' ' ' ' DT' . . . . . 0.717 H5'' H2'' ' F' ' 112' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.066 0 N19-C1'-C2' 109.272 -3.08 . . . . 45.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 114' ' ' ' DG' . . . . . 0.573 " H1'" " H5'" ' F' ' 115' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.413 -1.673 0 P-O5'-C5' 119.322 -0.986 . . . . 49.68 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 115' ' ' ' DC' . . . . . 0.573 " H5'" " H1'" ' F' ' 114' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.416 -1.486 0 C2'-C3'-O3' 114.899 1.592 . . . . 55.29 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 116' ' ' ' DA' . . . . . 0.616 H2'' ' OP2' ' F' ' 117' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.413 -1.703 0 C2'-C3'-O3' 116.834 2.309 . . . . 67.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 117' ' ' ' DC' . . . . . 0.824 H2'' " H5'" ' F' ' 118' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O3'-P-O5' 99.904 -2.156 . . . . 69.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 118' ' ' ' DG' . . . . . 1.105 " C2'" H5'' ' F' ' 119' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.191 0 C5'-C4'-C3' 112.002 -1.799 . . . . 70.62 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 119' ' ' ' DG' . . . . . 1.105 H5'' " C2'" ' F' ' 118' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.535 1.021 0 O4'-C1'-N19 104.944 -3.57 . . . . 73.02 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.729 0 N-CA-C 110.242 -0.281 . . . . 97.07 110.242 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmtm -103.6 135.39 45.28 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 122.535 0.334 . . . . 67.26 111.308 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.25 147.03 50.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.745 -0.661 . . . . 58.63 111.492 179.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' NH2' ' O6 ' ' E' ' 115' ' ' ' DG' . 19.7 mtp-105 -94.61 160.91 14.42 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.753 -0.779 . . . . 54.98 111.533 -179.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 143.71 1.99 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.651 -0.249 . . . . 47.86 110.391 178.525 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . 0.57 ' HB ' ' C7 ' ' F' ' 103' ' ' ' DT' . 85.9 m -111.28 123.84 51.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 119.544 -0.862 . . . . 43.31 111.505 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 25.5 pt -111.25 164.78 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.478 -1.237 . . . . 41.9 110.886 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.4 m -121.45 129.42 52.96 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 105.409 -2.071 . . . . 49.79 105.409 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.69 155.13 50.89 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 114.575 1.324 . . . . 47.4 114.575 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.7 t -58.0 135.79 57.01 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.112 -0.949 . . . . 55.07 110.315 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' B' ' 1' ' ' MET . 0.1 OUTLIER -52.46 -22.38 4.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.031 -0.531 . . . . 86.28 110.72 179.378 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -92.5 -27.6 17.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.314 0.487 . . . . 66.91 112.314 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t -77.78 -34.99 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 108.089 -1.078 . . . . 60.5 108.089 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.4 tp -71.03 -40.13 71.91 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.749 -0.66 . . . . 59.73 109.264 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -64.19 -30.17 71.24 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.131 -1.063 . . . . 83.84 108.131 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -77.69 -41.66 37.24 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 119.591 -0.843 . . . . 66.27 109.541 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.483 HD13 HD11 ' B' ' 36' ' ' LEU . 33.4 tp -48.59 -55.18 11.88 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 104.929 -2.249 . . . . 58.98 104.929 178.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' OE1' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -38.88 -66.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.263 -0.881 . . . . 79.93 113.324 178.907 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HD3' ' OE2' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -49.66 -56.08 11.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.716 -0.675 . . . . 63.89 112.134 -179.647 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.5 mtm -52.14 -55.2 22.41 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.17 1.174 . . . . 64.9 114.17 -178.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.2 88.04 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.787 -1.19 . . . . 65.38 107.787 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.59 -55.86 19.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.336 0.865 . . . . 89.38 113.336 -179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' OE2' ' HD3' ' A' ' 19' ' ' LYS . 11.6 mt-10 -65.64 -24.6 67.07 Favored 'General case' 0 CA--C 1.506 -0.722 0 C-N-CA 119.454 -0.898 . . . . 86.26 112.684 -179.054 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.9 mtp -93.79 1.29 56.51 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.47 -0.892 . . . . 62.55 109.358 -179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.54 40.62 70.53 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.289 -0.725 . . . . 52.19 111.289 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -114.26 163.33 15.4 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 123.171 0.588 . . . . 48.28 111.352 -179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.7 p -87.32 162.88 17.13 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 104.456 -2.424 . . . . 46.28 104.456 176.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HE3' ' OE1' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -62.28 -42.53 99.42 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 106.795 -1.557 . . . . 48.41 106.795 179.621 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -56.37 -37.12 69.65 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 107.945 -1.132 . . . . 47.98 107.945 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.24 -44.9 24.32 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.398 -0.521 . . . . 45.34 111.895 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.4 tpt -59.56 -48.74 80.47 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.235 -1.024 . . . . 51.21 108.235 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.4 mt -55.12 -53.31 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 107.563 -1.273 . . . . 52.35 107.563 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -52.09 -40.2 60.89 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.713 0.805 . . . . 50.6 111.752 179.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.89 -54.99 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 107.283 -1.377 . . . . 48.79 107.283 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.93 77.18 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.029 0.751 . . . . 53.35 113.029 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.728 HD11 HD13 ' B' ' 17' ' ' LEU . 5.8 mt -60.09 -55.81 29.35 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 107.816 -1.179 . . . . 57.62 107.816 179.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -49.6 -59.06 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.717 -0.845 . . . . 82.74 108.717 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 27.1 t-20 -39.49 -71.84 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.894 -1.15 . . . . 73.96 107.894 178.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -41.73 -53.68 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.258 0.836 . . . . 74.41 113.258 179.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -44.65 -51.08 9.48 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 107.924 -1.139 . . . . 83.53 107.924 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -54.09 -63.67 1.08 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.331 -0.85 . . . . 93.22 112.366 -179.632 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.01 -7.99 0.56 Allowed Glycine 0 C--N 1.333 0.368 0 N-CA-C 115.412 0.925 . . . . 91.45 115.412 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.913 -1.041 . . . . 99.92 111.066 179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . 0.556 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.3 tpt . . . . . 0 N--CA 1.493 1.713 0 CA-C-O 120.48 0.181 . . . . 99.11 110.908 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 141.19 58.86 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.141 0.576 . . . . 89.92 111.336 179.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -129.55 157.41 42.13 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.012 0.434 . . . . 80.2 111.963 179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.738 HH12 ' C7 ' ' F' ' 103' ' ' ' DT' . 5.8 mtm180 -100.2 152.39 20.33 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 114.782 1.401 . . . . 62.98 114.782 -178.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 15.4 tp -146.85 122.83 10.72 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 115.817 -0.629 . . . . 49.0 110.95 -177.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' THR . . . . . 0.404 ' O ' " H2'" ' F' ' 113' ' ' ' DT' . 7.4 m -92.82 120.17 32.91 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.163 -1.421 . . . . 42.7 107.163 178.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 14.3 pt -123.48 171.21 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 CA-C-O 121.438 0.637 . . . . 40.33 111.336 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.87 129.91 50.28 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 106.992 -1.484 . . . . 47.94 106.992 -179.792 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mt -129.43 146.92 51.22 Favored 'General case' 0 CA--C 1.502 -0.89 0 N-CA-C 112.614 0.598 . . . . 45.42 112.614 -177.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' SER . . . . . 0.44 ' O ' ' N ' ' B' ' 13' ' ' VAL . 1.2 m -69.53 125.61 27.23 Favored 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 115.163 -0.926 . . . . 52.65 109.479 179.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -32.14 -51.32 0.24 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.96 1.096 . . . . 81.82 113.96 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 66.7 p -63.39 -37.68 88.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.33 -0.85 . . . . 59.96 111.584 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' B' ' 10' ' ' SER . 77.3 t -75.4 -30.95 23.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 108.479 -0.934 . . . . 61.26 108.479 -179.805 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' B' ' 17' ' ' LEU . 32.1 tp -71.93 -46.27 58.16 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.834 -0.802 . . . . 59.88 108.834 179.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.61 -43.09 71.91 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-N 114.584 -1.189 . . . . 85.54 108.695 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -77.55 -16.0 58.92 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 119.232 -0.987 . . . . 67.79 110.889 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.728 HD13 HD11 ' A' ' 36' ' ' LEU . 35.7 tp -70.95 -44.31 66.35 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 105.691 -1.966 . . . . 61.03 105.691 178.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -54.97 39.45 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 114.644 -1.162 . . . . 76.17 110.112 178.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -61.8 1.67 Allowed 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 116.104 -0.498 . . . . 66.52 110.571 -179.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' MET . . . . . 0.685 ' HB3' ' HE2' ' B' ' 31' ' ' MET . 22.8 mtm -54.52 -38.88 67.06 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 114.631 1.345 . . . . 72.14 114.631 179.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.555 ' HA ' ' HG2' ' B' ' 31' ' ' MET . . . -65.81 -48.94 70.04 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.028 -0.533 . . . . 65.36 111.487 -178.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -51.31 -65.81 0.49 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.869 -1.53 . . . . 93.01 106.869 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.65 -13.12 0.35 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 116.637 2.088 . . . . 84.32 116.637 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.92 3.53 17.61 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.599 -1.26 . . . . 78.98 107.599 178.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.02 41.68 78.29 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.207 -0.906 . . . . 59.27 112.302 -179.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.66 164.71 24.42 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.186 0.517 . . . . 53.89 109.966 178.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 89.2 p -84.08 163.86 19.59 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.965 -1.865 . . . . 49.76 105.965 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -50.12 72.19 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.155 -0.618 . . . . 49.4 109.806 179.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.18 -43.58 52.41 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.382 -0.599 . . . . 50.48 109.382 178.756 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.741 ' O ' HG23 ' B' ' 34' ' ' VAL . . . -65.97 -49.73 66.8 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.305 -0.861 . . . . 48.25 111.811 -178.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' MET . . . . . 0.685 ' HE2' ' HB3' ' B' ' 20' ' ' MET . 0.0 OUTLIER -55.91 -60.41 3.51 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 107.421 -1.326 . . . . 60.01 107.421 178.777 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 15.8 mt -47.31 -43.3 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 115.671 -0.695 . . . . 48.89 111.322 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -31.66 72.92 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.332 0.493 . . . . 55.62 112.332 -179.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 30' ' ' ALA . 21.4 t -70.79 -60.17 2.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-O 121.813 0.815 . . . . 52.06 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.38 -46.32 36.91 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 113.292 -1.777 . . . . 55.97 108.548 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.483 HD11 HD13 ' A' ' 17' ' ' LEU . 8.5 mt -59.22 -48.13 82.76 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.564 0.54 . . . . 62.45 111.809 -179.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.47 -26.16 64.44 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 120.027 -0.669 . . . . 80.07 109.939 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -68.03 -56.9 7.22 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.773 -0.648 . . . . 77.38 111.033 179.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -48.56 -48.5 38.73 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.582 -0.281 . . . . 74.41 110.245 179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.57 -33.73 47.3 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.367 -0.605 . . . . 83.13 109.367 -179.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.713 ' HE3' ' HA ' ' B' ' 41' ' ' LYS . 0.0 OUTLIER -73.53 -60.73 2.11 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.974 -0.557 . . . . 93.79 109.838 179.841 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLY . . . . . 0.732 ' O ' ' HB2' ' B' ' 43' ' ' GLN . . . -45.6 -13.41 0.05 OUTLIER Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.924 -0.87 . . . . 92.14 110.924 179.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLN . . . . . 0.732 ' HB2' ' O ' ' B' ' 42' ' ' GLY . 7.5 mm-40 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 124.825 1.25 . . . . 97.49 111.214 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_